L-Cysteine, S-(2-methoxy-2-oxoethyl)-N-[N-[N-[N-(1-oxopropyl)-L-phenylalanyl]-L-leucyl]glycyl]-, methyl ester
- Formula: C27H40N4O8S
- Molecular weight: 580.693
- IUPAC Standard InChI: InChI=1S/C27H40N4O8S/c1-6-22(32)29-20(13-18-10-8-7-9-11-18)26(36)31-19(12-17(2)3)25(35)28-14-23(33)30-21(27(37)39-5)15-40-16-24(34)38-4/h7-11,17,19-21H,6,12-16H2,1-5H3,(H,28,35)(H,29,32)(H,30,33)(H,31,36)
- IUPAC Standard InChIKey: HBIFAJIXPAZQOJ-UHFFFAOYSA-N
- CAS Registry Number: 35146-63-5
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.3 ± 0.1 | PI | Orlov, Varshavsky, et al., 1974 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C11H14NO+ | 9.0 ± 0.1 | ? | PI | Orlov, Varshavsky, et al., 1974 | |
| C12H14NO2+ | 9.1 ± 0.1 | ? | PI | Orlov, Varshavsky, et al., 1974 | |
| C17H25N2O2+ | 8.8 ± 0.1 | ? | PI | Orlov, Varshavsky, et al., 1974 | |
| C18H25N2O3+ | 9.1 ± 0.1 | ? | PI | Orlov, Varshavsky, et al., 1974 | |
| C19H28N3O3+ | 9.0 ± 0.1 | ? | PI | Orlov, Varshavsky, et al., 1974 | |
| C20H28N3O4+ | 9.2 ± 0.1 | ? | PI | Orlov, Varshavsky, et al., 1974 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, 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
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| 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. |
|---|---|
| NIST MS number | 31049 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Orlov, Varshavsky, et al., 1974
Orlov, V.M.; Varshavsky, Y.M.; Miroshnikov, A.I.,
Photoionisation mass spectra of volatile derivatives of short peptides and appearance potentials of their characteristic ions,
Org. Mass Spectrom., 1974, 9, 811. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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