2,4-Heptadienal, (E,E)-
- Formula: C7H10O
- Molecular weight: 110.1537
- IUPAC Standard InChIKey: SATICYYAWWYRAM-VNKDHWASSA-N
- CAS Registry Number: 4313-03-5
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: trans-2-trans-4-Heptadienal; trans,trans-2,4-Heptadienal; 2,4-Heptadien-1-al; (E,E)-2,4-Heptadienal; (E,E)-2,4-Heptadien-1-al; 2,4-(E,E)-Heptadienal; (E)-2,(E)-4- Heptadienal; (E,E)-Hepta-2,4-dienal; Hepta-2(E),4(E)-dienal; trans,trans-Hepta-2,4-dienal; (2E,4E)-2,4-heptadienal; (E; E)-2,4-heptadienal; (2E,4E)-hepta-2,4-dienal
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, polar column, temperature ramp
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | DB-Wax | DB-Wax | HP-Innowax |
Column length (m) | 60. | 30. | 60. | 30. | 30. |
Carrier gas | Helium | Helium | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.35 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 45. | 60. | 40. | 30. | 50. |
Tend (C) | 220. | 200. | 200. | 210. | 250. |
Heat rate (K/min) | 5. | 8. | 4. | 5. | 6.5 |
Initial hold (min) | 1. | 3. | 1.5 | ||
Final hold (min) | 5. | 9.5 | 10. | ||
I | 1453. | 1522. | 1515. | 1501. | 1494. |
Reference | Piyachaiseth, Jirapakkul, et al., 2011 | Rochat, Egger, et al., 2009 | Ganeko, Shoda, et al., 2008 | Kumazawa, Itobe, et al., 2008 | Thakeow, Angeli, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Stabilwax | BP-20 | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 60. | 30. | 30. |
Carrier gas | Helium | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 70. | 40. | 40. | 50. |
Tend (C) | 240. | 220. | 210. | 210. | 180. |
Heat rate (K/min) | 3. | 4. | 3. | 5. | 3. |
Initial hold (min) | 5. | 4. | |||
Final hold (min) | 10. | 5. | 40. | ||
I | 1492. | 1497. | 1506. | 1495. | 1483. |
Reference | Cros, Vandanjon, et al., 2007 | Rawat, Gulati, et al., 2007 | Kumazawa, Wada, et al., 2006 | Kumazawa, Kubota, et al., 2005 | Lee, Umano, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | Stabilwax |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | Nitrogen | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.53 | 0.53 | 0.53 | 0.25 |
Phase thickness (μm) | 0.50 | 1. | 1. | 1. | 0.25 |
Tstart (C) | 35. | 40. | 40. | 40. | 40. |
Tend (C) | 235. | 240. | 240. | 240. | 240. |
Heat rate (K/min) | 2. | 4. | 4. | 4. | 3. |
Initial hold (min) | 4. | 2. | 2. | 2. | 5. |
Final hold (min) | 30. | 20. | 20. | 20. | 10. |
I | 1514. | 1524. | 1526. | 1530. | 1492. |
Reference | Qian and Wang, 2005 | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | Cros, Vandanjon, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 60. | 40. | 40. |
Tend (C) | 200. | 200. | 180. | 210. | 210. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 5. |
Initial hold (min) | 10. | 10. | 4. | ||
Final hold (min) | |||||
I | 1487. | 1485. | 1503. | 1495. | 1497. |
Reference | Vichi, Pizzale, et al., 2003 | Vichi, Pizzale, et al., 2003, 2 | Ito, Sugimoto, et al., 2002 | Kumazawa and Masuda, 2002 | Kumazawa and Masuda, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Supelcowax-10 | Innowax | DB-Wax |
Column length (m) | 60. | 30. | 60. | 60. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.53 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
Tstart (C) | 50. | 50. | 35. | 60. | 40. |
Tend (C) | 210. | 220. | 200. | 220. | 210. |
Heat rate (K/min) | 1.5 | 4. | 4. | 5. | |
Initial hold (min) | 5. | 3. | 10. | 10. | |
Final hold (min) | 10. | ||||
I | 1508. | 1491. | 1505. | 1506. | 1505. |
Reference | Chyau and Mau, 2001 | Weckerle, Bastl-Borrmann, et al., 2001 | Girard and Durance, 2000 | Kaya, Baser, et al., 1999 | Kumazawa and Masuda, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Innowax | DB-Wax |
Column length (m) | 60. | 60. | 60. | 30. | 60. |
Carrier gas | He | He | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 50. | 40. | 60. |
Tend (C) | 210. | 200. | 200. | 240. | 220. |
Heat rate (K/min) | 5. | 2. | 3. | 6. | 3. |
Initial hold (min) | 2. | 10. | |||
Final hold (min) | 40. | 25. | |||
I | 1507. | 1487. | 1483. | 1489. | 1482. |
Reference | Kumazawa and Masuda, 1999 | Umano, Nakahara, et al., 1999 | Horiuchi, Umano, et al., 1998 | Petersen, Poll, et al., 1998 | Werkhoff, Güntert, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | TC-Wax | Carbowax 20M | DB-Wax | DB-Wax |
Column length (m) | 50. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 50. | 80. | 60. | 60. | 60. |
Tend (C) | 210. | 240. | 180. | 180. | 180. |
Heat rate (K/min) | 1.5 | 3. | 2. | 2. | 2. |
Initial hold (min) | 5. | 5. | 4. | 4. | 4. |
Final hold (min) | 10. | ||||
I | 1508. | 1500. | 1456. | 1479. | 1482. |
Reference | Chyau, Lin, et al., 1997 | Shuichi, Masazumi, et al., 1996 | Kawakami, Ganguly, et al., 1995 | Kobayashi, Tsuda, et al., 1995 | Kobayashi, Tsuda, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | PEG-20M | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 50. | 50. | 60. | 50. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.15 | 0.15 | |||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 180. | 180. | 220. | 180. | 180. |
Heat rate (K/min) | 2. | 2. | 3. | 2. | 2. |
Initial hold (min) | 4. | 4. | 4. | 4. | 4. |
Final hold (min) | |||||
I | 1454. | 1457. | 1503. | 1456. | 1456. |
Reference | Togari, Kobayashi, et al., 1995 | Togari, Kobayashi, et al., 1995 | Chung, Eiserich, et al., 1993 | Kawakami, Kobayashi, et al., 1993 | Kawakami and Kobayashi, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | DB-Wax | DB-Wax | Supelcowax-10 | Carbowax 20M |
Column length (m) | 50. | 60. | 60. | 60. | 50. |
Carrier gas | N2 | He | Hydrogen | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.20 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 60. | 50. | 50. | 40. | 50. |
Tend (C) | 180. | 230. | 230. | 175. | 200. |
Heat rate (K/min) | 2. | 4. | 4. | 1. | 1. |
Initial hold (min) | 0.1 | 5. | |||
Final hold (min) | 10. | 10. | 35. | ||
I | 1465. | 1486. | 1485. | 1493. | 1480. |
Reference | Kubota, Nakamoto, et al., 1991 | Binder, Turner, et al., 1990 | Binder, Flath, et al., 1989 | Hsieh, Williams, et al., 1989 | Wu, Liou, et al., 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 150. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.64 |
Phase thickness (μm) | |
Tstart (C) | 50. |
Tend (C) | 170. |
Heat rate (K/min) | 1. |
Initial hold (min) | 30. |
Final hold (min) | |
I | 1480. |
Reference | Buttery, Ling, et al., 1980 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S.,
Aroma compounds of flash-fried rice,
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Rochat, Egger, et al., 2009
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Strategy for the identification of key odorants: application to shrimp aroma,
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Ganeko, Shoda, et al., 2008
Ganeko, N.; Shoda, M.; Hirohara, I.; Bhadra, A.; Ishida, T.; Matsuda, H.; Takamura, H.; Matoba, T.,
Analysis of volatile flavor compounds of sardine (Sardinops melanostica) by solid phase microextraction,
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Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
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Thakeow, Angeli, et al., 2008
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Antennal and behavioral responses of Cis boleti to fungal odor of Trametes gibbosa,
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Cros, Vandanjon, et al., 2007
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Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry,
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Kumazawa, Wada, et al., 2006
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Characterization of epoxydecenal isomers as potent odorants in black tea (Dimbula) infusion,
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Kumazawa, Kubota, et al., 2005
Kumazawa, K.; Kubota, K.; Masuda, H.,
Influence of Manufacturing Conditions and Crop Season on the Formation of 4-Mercapto-4-methyl-2-pentanone in Japanese Green Tea (Sen-cha),
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Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
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Qian and Wang, 2005
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Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
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Cros, Vandanjon, et al., 2003
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Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: modifications induced by oxidation and suitable markers of oxidative status,
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Vichi, Pizzale, et al., 2003, 2
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
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Ito, Sugimoto, et al., 2002
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Kumazawa and Masuda, 2002
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Identification of potent odorants in different green tea varieties using flavor dilution technique,
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Chyau and Mau, 2001
Chyau, C.-C.; Mau, J.-L.,
Effects of various oils on volatile compounds of deep-fried shallot flavouring,
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Weckerle, Bastl-Borrmann, et al., 2001
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Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis,
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Girard and Durance, 2000
Girard, B.; Durance, T.,
Headspace volatiles of sockeye and pink salmon as affected by retort process,
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Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
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Kumazawa and Masuda, 1999
Kumazawa, K.; Masuda, H.,
Identification of potent odorants in Japanese green tea (Sen-cha),
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Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger,
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Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T.,
Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide,
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Petersen, Poll, et al., 1998
Petersen, M.A.; Poll, L.; Larsen, L.M.,
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Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
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Chyau, Lin, et al., 1997
Chyau, C.-C.; Lin, Y.-C.; Mau, J.-L.,
Storage stability of deep-fried shallot flavoring,
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Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
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Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A.,
Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
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Kobayashi, Tsuda, et al., 1995
Kobayashi, A.; Tsuda, Y.; Hirata, N.; Kubota, K.; Kitamura, K.,
Aroma constituents of soybean [Glycine max (L.) Merril] milk lacking lipoxygenase isozymes,
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Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T.,
Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories,
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Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds identified in headspace samples of peanut oil heated under temperatures ranging from 50 to 200 °C,
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Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K.,
Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process,
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. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
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. [all data]
Kubota, Nakamoto, et al., 1991
Kubota, K.; Nakamoto, A.; Moriguchi, M.; Kobayashi, A.; Ishii, H.,
Formation of pyrrolidino[1,2-e]-4H-2,4-dimethyl-1,3,5-dithiazine in the volatiles of boiled short-necked clam, clam, and corbicula,
J. Agric. Food Chem., 1991, 39, 6, 1127-1130, https://doi.org/10.1021/jf00006a027
. [all data]
Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Volatile components of purple starthistle,
J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Hsieh, Williams, et al., 1989
Hsieh, T.C.Y.; Williams, S.S.; Vejaphan, W.; Meyers, S.P.,
Characterization of Volatile Components of Menhaden Fish (Brevoortia tyrannus) Oil,
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. [all data]
Wu, Liou, et al., 1987
Wu, C.-M.; Liou, S.-E.; Chang, Y.-H.; Chiang, W.,
Volatile compounds of the wax gourd (Benincasa hispida, Cogn) and a wax gourd beverage,
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. [all data]
Buttery, Ling, et al., 1980
Buttery, R.G.; Ling, L.C.; Teranishi, R.,
Volatile of corn tassels: possible corn ear worm attractants,
J. Agric. Food Chem., 1980, 28, 4, 771-774, https://doi.org/10.1021/jf60230a020
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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