Propanoic acid, 2-methyl-
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChIKey: KQNPFQTWMSNSAP-UHFFFAOYSA-N
- CAS Registry Number: 79-31-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Isobutyric acid; α-Methylpropanoic acid; α-Methylpropionic acid; Dimethylacetic acid; Isobutanoic acid; Isopropylformic acid; 2-Methylpropanoic acid; 2-Methylpropionic acid; iso-C3H7COOH; Acetic acid, dimethyl-; Cenex RP b2; Propionic acid, 2-methyl-; Tenox IBP 2; Kyselina isomaselna; UN 2529; Methylpropanoic acid; Methylpropionic acid; 2-Propanecarboxylic acid; i-Butyric acid; NSC 62780
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Ion clustering data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C4H7O2- + C4H8O2 = (C4H7O2- • C4H8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 125. ± 4.2 | kJ/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 140. | J/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 83.3 ± 6.7 | kJ/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: I- + C4H8O2 = (I- • C4H8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.9 ± 4.2 | kJ/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.8 | J/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 44.4 ± 4.2 | kJ/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
Mass spectrum (electron ionization)
Go To: Top, Ion clustering data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2559 |
NIST MS number | 228227 |
Gas Chromatography
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1574. | Umano, Shoji, et al., 1986 | N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 792. | Colahan-Sederstrom and Peterson, 2005 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 230. C @ 6. min |
Capillary | HP-5MS | 785. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-5 | 790. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-5 | 793. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | CP-Sil 8CB-MS | 765. | Bruna, Hierro, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | CP Sil 5 CB | 732. | Pino, Marbot, et al., 2001 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | DB-1 | 723. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 738. | Tretyakov, 2011 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Capillary | DB-1 | 752. | Place, Imhof, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) |
Capillary | SE-54 | 793. | Zimmermann and Schieberle, 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) |
Capillary | SE-54 | 789. | Münch, Hofmann, et al., 1997 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 50C (2min) => 240C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1581. | Botelho, Caldeira, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 3.5 K/min, 180. C @ 25. min |
Capillary | Innowax | 1584. | Botelho, Caldeira, et al., 2007 | 30. m/0.25 mm/0.25 μm, H2, 45. C @ 5. min, 3.5 K/min, 210. C @ 20. min |
Capillary | HP-Innowax | 1544. | Quijano, Linares, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1544. | Osorio, Alarcon, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
Capillary | LM-120 | 1585. | Pinto, Guedes, et al., 2006 | 50. m/0.25 mm/0.5 μm, 3. K/min, 240. C @ 30. min; Tstart: 50. C |
Capillary | OV-351 | 1539. | Bonvehí, 2005 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | DB-FFAP | 1554. | Colahan-Sederstrom and Peterson, 2005 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 230. C @ 6. min |
Capillary | Stabilwax | 1588. | Fang and Qian, 2005 | 30. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min |
Capillary | DB-Wax | 1587. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | Carbowax 20M | 1549. | Verzera, Campisi, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C |
Capillary | DB-Wax | 1588. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 1579. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 1585. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-Wax | 1520. | Avsar, Karagul-Yuceer, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min |
Capillary | ZB-Wax | 1572. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1580. | Mahajan, Goddik, et al., 2004 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 2. min, 5. K/min, 230. C @ 10. min |
Capillary | DB-Wax Etr | 1556. | Ménager, Jost, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 1555. | Aubert, Günata, et al., 2003 | 30. m/0.32 mm/0.5 μm, 40. C @ 3. min, 2. K/min, 245. C @ 20. min |
Capillary | DB-FFAP | 1520. | Karagül-Yüceer, Cadwallader, et al., 2002 | 30. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-FFAP | 1547. | Karagül-Yüceer, Cadwallader, et al., 2002 | 30. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | Supelcowax-10 | 1571. | Moreira, Trugo, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 230. C @ 30. min; Tstart: 50. C |
Capillary | DB-Wax | 1556. | Karagül-Yüceer, Drake, et al., 2001 | 30. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | AT-Wax | 1556. | Pino, Marbot, et al., 2001 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Capillary | CP-Wax 52CB | 1549. | Verzera, Campisi, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C |
Capillary | DB-FFAP | 1573. | Charles, Martin, et al., 2000 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min; Tend: 240. C |
Capillary | DB-Wax | 1575. | Moio, Piombino, et al., 2000 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-Wax | 1576. | Moio, Piombino, et al., 2000 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-Wax | 1564. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 1575. | Moio and Addeo, 1998 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-Wax | 1576. | Moio and Addeo, 1998 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-Wax | 1575. | Moio and Addeo, 1998 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | FFAP | 1567. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
Capillary | DB-Wax | 1574. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1571. | Shimoda, Wu, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 1558. | Frauendorfer and Schieberle, 2006 | 25. m/0.32 mm/0.2 μm, He; Program: 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C |
Capillary | DB-Wax | 1584. | Selli, Canbas, et al., 2006 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) |
Capillary | DB-Wax | 1584. | Selli, Canbas, et al., 2006, 2 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min) |
Capillary | FFAP | 1595. | Ranau and Steinhart, 2005 | 60. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min) |
Capillary | DB-Wax | 1556. | Ferrari, Lablanquie, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
Capillary | DB-Wax | 1584. | Selli, Cabaroglu, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) |
Capillary | Carbowax 20M | 1608. | Boido, Lloret, et al., 2003 | 25. m/0.32 mm/0.25 μm, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C |
Capillary | DB-Wax | 1553. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Capillary | DB-FFAP | 1562. | Rychlik and Bosset, 2001 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C |
Capillary | DB-Wax | 1570. | Ziegleder, 2001 | He; Column length: 60. m; Column diameter: 0.25 mm; Program: 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min) |
Capillary | FFAP | 1571. | Zimmermann and Schieberle, 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) |
Capillary | FFAP | 1565. | Kubícková and Grosch, 1997 | 30. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 230C (10min) |
Capillary | FFAP | 1548. | Münch, Hofmann, et al., 1997 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 60C (2min) => 240C (10min) |
Capillary | FFAP | 1578. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 774. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 779. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | HP-5 MS | 758. | Pino, Marquez, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 240. C @ 10. min |
Capillary | HP-5 MS | 753. | Radulovic, Blagojevic, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | RTX-5 | 738. | Berdague, Tournayre, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 4. K/min, 205. C @ 5. min |
Capillary | 5 % Phenyl methyl siloxane | 758. | Ramirez R. and Cava R., 2007 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | SPB-5 | 744. | Pino, Marquez, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | HP-5 | 803.9 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | MDN-5 | 797. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | MDN-5 | 775. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | HP-5 | 790. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 790. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 793. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 793. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | OV-101 | 780. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | SPB-5 | 741. | Sebastian, Viallon-Fernandez, et al., 2003 | 60. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C |
Capillary | RSL-200 | 739. | Ngassoum, Jirovetz, et al., 2001 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Capillary | DB-5 | 775. | Kotseridis and Baumes, 2000 | 30. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-5 | 775. | Kotseridis and Baumes, 2000 | 30. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | BP-5 | 796. | Lopez, Ferreira, et al., 1999 | 50. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 190. C |
Capillary | DB-5 | 753. | Kondjoyan, Viallon, et al., 1997 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 2. min |
Capillary | DB-1 | 723. | Robacker and Bartelt, 1997 | 30. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 758. | Pino, Marquez, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | CP-Sil 5 Cb | 731. | Collin, Nizet, et al., 2008 | 50. m/0.32 mm/1.20 μm, Nitrogen; Program: 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) |
Capillary | CP-Sil5 CB MS | 731. | Iraqi, Vermeulen, et al., 2005 | 50. m/0.32 mm/1.2 μm; Program: 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) |
Capillary | HP-5 | 757. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | DB-5 | 757. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
Capillary | SE-30 | 756. | Vinogradov, 2004 | Program: not specified |
Capillary | SPB-5 | 744. | Begnaud, Pérès, et al., 2003 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | HP-5MS | 790. | Martí, Mestres, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 120C => 10C/min => 210C (30min) |
Capillary | HP-5 | 767. | Timón, Ventanas, et al., 1998 | 50. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) |
Capillary | DB-5 | 770. | Mateo, Aguirrezábal, et al., 1997 | 50. m/0.32 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min) |
Capillary | DB-5 | 765. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
Capillary | DB-5 | 758. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-FFAP | 1586. | Wanakhachornkrai and Lertsiri, 9999 | 25. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | DB-Wax | 1552. | Onishi, Inoue, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 20. min |
Capillary | FFAP | 1546. | Piyachaiseth, Jirapakkul, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min |
Capillary | VF-Wax MS | 1579. | Duarte, Dias, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 5. min, 3. K/min, 220. C @ 25. min |
Capillary | HP-Innowax | 1585. | Soria, Sanz, et al., 2008 | 50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
Capillary | CP-Wax 52CB | 1570. | Audino, Alzogaray, et al., 2007 | He, 50. C @ 2. min, 6. K/min, 220. C @ 20. min; Column length: 30. m; Phase thickness: 0.32 μm |
Capillary | CP-Wax 52CB | 1572. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | RTX-Wax | 1552. | Prososki, Etzel, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1555. | Xu, Fan, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 5. min |
Capillary | DB-Wax | 1555. | Fan and Qian, 2006 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min |
Capillary | DB-Wax | 1585. | Fan and Qian, 2006, 2 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min |
Capillary | DB-Wax | 1561. | Kishimoto, Wanikawa, et al., 2006 | 15. m/0.32 mm/0.25 μm, He, 6. K/min, 230. C @ 20. min; Tstart: 40. C |
Capillary | HP-Innowax | 1553. | Komes, Ulrich, et al., 2006 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 3. min, 2. K/min, 200. C @ 15. min |
Capillary | DB-Wax | 1572. | Fan and Qian, 2005 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 5. min |
Capillary | Carbowax 20M | 1569. | de la Fuente, Martinez-Castro, et al., 2005 | 50. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min |
Capillary | Stabilwax DA | 1592. | Nogueira, Lubachevsky, et al., 2005 | 60. m/0.25 mm/0.5 μm, 40. C @ 5. min, 5. K/min; Tend: 180. C |
Capillary | ZB-Wax | 1571. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 1575. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 1579. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 1585. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 1579. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
Capillary | DB-Wax | 1588. | Culleré, Escudero, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | HP-Innowax | 1584. | Soria, Gonzalez, et al., 2004 | 50. m/0.2 mm/0.2 μm, He, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
Capillary | DB-Wax | 1583. | Alves and Franco, 2003 | 30. m/0.25 mm/0.5 μm, H2, 50. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 1557. | Lee and Noble, 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min |
Capillary | DB-Wax | 1588. | López, Ortín, et al., 2003 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | TC-Wax | 1555. | Miyazawa and Okuno, 2003 | He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C |
Capillary | DB-Wax | 1570. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 1571. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | Supelcowax-10 | 1565. | Vichi, Castellote, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
Capillary | HP-FFAP | 1586. | Wanakhachornkrai and Lertsiri, 2003 | 25. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | DB-Wax | 1588. | Ferreira, Ortín, et al., 2002 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | FFAP | 1535. | Lecanu, Ducruet, et al., 2002 | 30. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; Tend: 240. C |
Capillary | HP-FFAP | 1535. | Qian and Reineccius, 2002 | 25. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min |
Capillary | DB-Wax | 1554. | Umano, Hagi, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 1584. | Aznar, López, et al., 2001 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 1584. | Ferreira, Aznar, et al., 2001 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 1535. | Wei, Mura, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | DB-Wax | 1565. | Kotseridis and Baumes, 2000 | 30. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 1565. | Kotseridis and Baumes, 2000 | 30. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 1524. | Parada, Duque, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 1535. | Parada, Duque, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | Carbowax 20M | 1568. | Lopez, Ferreira, et al., 1999 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 2. K/min; Tend: 190. C |
Capillary | DB-Wax | 1560. | Buttery and Ling, 1998 | 30. C @ 4. min, 2. K/min, 170. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | Supelcowax-10 | 1587. | Campeanu, Burcea, et al., 1998 | 60. m/0.32 mm/0.5 μm, H2, 35. C @ 5. min, 5. K/min, 250. C @ 20. min |
Capillary | HP-Innowax | 1551. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | DB-Wax | 1553. | Parada and Duque, 1998 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 1561. | Parada and Duque, 1998 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 1576. | Wada and Shibamoto, 1997 | He, 3. K/min, 200. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C |
Capillary | TC-Wax | 1578. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Capillary | Carbowax 20M | 1535. | Kawakami, Kobayashi, et al., 1993 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | Supelcowax-10 | 1579. | Hsieh, Williams, et al., 1989 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 1. K/min; Tend: 175. C |
Capillary | Carbowax 20M | 1560. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1570. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | FFAP | 1555. | Vernin, Metzger, et al., 1988 | He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. C |
Capillary | Carbowax 20M | 1560. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1570. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | EC-1000 | 1600. | Delabre and Bendall, 9999 | Program: not specified |
Capillary | DB-Wax | 1566. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 1568. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | CP-Wax 52 CB | 1573. | Povolo, Cabassi, et al., 2011 | Program: not specified |
Capillary | DB-Wax | 1566. | Sampaio, Garruti, et al., 2011 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min) |
Capillary | DB-Wax | 1533. | Parker, Tsormpatsidis, et al., 2010 | Program: not specified |
Capillary | Stabilwax | 1577. | Chinnici, Guerrero, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) |
Capillary | Polyethylene glycol (Free Fatty Acid Phase) | 1564. | Harraca, Syed, et al., 2009 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | Polyethylene glycol (Free Fatty Acid Phase) | 1570. | Harraca, Syed, et al., 2009 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | Polyethylene glycol (Free Fatty Acid Phase) | 1571. | Harraca, Syed, et al., 2009 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | FFAP | 1538. | Frauendorfer and Schieberle, 2008 | Helium; Program: not specified |
Capillary | DB-Wax | 1618. | Yongsheng, Hua, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
Capillary | DB-FFAP | 1563. | Lasekan, Buettner, et al., 2007 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
Capillary | DB-Wax | 1568. | Tian, Zhang, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) |
Capillary | HP-Innowax | 1597. | Weldegergis B.T., Tredoux A.G.J., et al., 2007 | 30. m/0.25 mm/0.5 μm, He; Program: 30C(2min) => 4C/min => 130C => 8C/min => 250C(5min) |
Capillary | DB-Wax | 1566. | Krings, Zelena, et al., 2006 | 30. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min) |
Capillary | DB-Wax | 1568. | Krings, Zelena, et al., 2006 | 30. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min) |
Capillary | Carbowax 20M | 1549. | Editorial paper, 2005 | Program: not specified |
Capillary | Carbowax 20M | 1571. | Editorial paper, 2005 | Program: not specified |
Capillary | Carbowax 20M | 1594. | Vinogradov, 2004 | Program: not specified |
Capillary | CP-WAX 57CB | 1565. | Martí, Mestres, et al., 2003 | 50. m/0.25 mm/0.2 μm, He; Program: 40C(10min) => 5C/min => 100C => 3C/min => 180C => 20C/min => 210C (10min) |
Capillary | TRWAX | 1590. | Torrens, 2002 | 60. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | DB-Wax | 1563. | Mayorga, Knapp, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
Capillary | DB-Wax | 1569. | Mayorga, Knapp, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
Capillary | Innowax | 1591. | Özcan, Akgül, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
Capillary | FFAP | 1560. | Lambert, Demazeau, et al., 1999 | 30. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-Wax | 1570. | Ziegleder, 1998 | He; Column length: 60. m; Column diameter: 0.25 mm; Program: 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min) |
Capillary | DB-FFAP | 1557. | Guth, 1997 | 30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
Capillary | FFAP | 1561. | Schieberle and Grosch, 1994 | He; Column length: 30. m; Column diameter: 0.32 mm; Program: 35C => 40C/min => 60C(2min) => 4C/min => 240C |
References
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References
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