MassBank Record: MSJ00058



 L-gamma-glutamyl-S-3-(1-oxobutyl)-L-cysteinyl-glycine; ESI-QQ; MS2; CE 10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00058
RECORD_TITLE: L-gamma-glutamyl-S-3-(1-oxobutyl)-L-cysteinyl-glycine; ESI-QQ; MS2; CE 10 eV; [M+H]+
DATE: 2018.12.26
AUTHORS: , Horiyama S., Hatai M., Takahashi Y., Date S., Masujima T., Honda C., Ichikawa A., Yoshikawa N., Nakamura K., Kunitomo M., Takayama M., Mukogawa Women's University, Riken Quantitative Biology Center, OLABB, Yokohama City University.
LICENSE: CC BY
COPYRIGHT: S., Hatai M., Takahashi Y., Date S., Masujima T., Honda C., Ichikawa A., Yoshikawa N., Nakamura K., Kunitomo M., Takayama M., Mukogawa Women's University, Riken Quantitative Biology Center, OLABB, Yokohama City University.
PUBLICATION: Chem. Pharm. Bull, 2016, 64 (6), pp 585-593. DOI: 10.1248/cpb.c15-00986p
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

CH$NAME: L-gamma-glutamyl-S-3-(1-oxobutyl)-L-cysteinyl-glycine CH$COMPOUND_CLASS: Synthetic compound; Peptide CH$FORMULA: C14H23N3O7S CH$EXACT_MASS: 377.1257 CH$SMILES: O=C(N[C@@H](CSC(C)CC=O)C(=O)NCC(=O)O)CC[C@H](N)C(=O)O CH$IUPAC: InChI=1S/C14H23N3O7S/c1-8(4-5-18)25-7-10(13(22)16-6-12(20)21)17-11(19)3-2-9(15)14(23)24/h5,8-10H,2-4,6-7,15H2,1H3,(H,16,22)(H,17,19)(H,20,21)(H,23,24)/t8?,9-,10-/m0/s1 CH$LINK: CHEMSPIDER 58827519 CH$LINK: INCHIKEY KEQTTYRWDJQWAB-AGROOBSYSA-N CH$LINK: PUBCHEM CID:122391324
AC$INSTRUMENT: Quattro Premier, Micromass (USA) coupled to Alliance HT 2795, Waters (USA). AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$CHROMATOGRAPHY: COLUMN_NAME C18(ODS), Cosmosil 5C18-AR-II, 4.6 x 150 mm, 4.4 micrometer AC$CHROMATOGRAPHY: FLOW_GRADIENT A 0.05%HCOOH, B CH3OH, linear gradient 5% B-40% B-95% B-5% B
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 378.1330
PK$SPLASH: splash10-0059-0179000000-a3e13766e619a3aa5ed1 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 102.3 10410 5 127.5 45750 23 127.9 45710 23 128.3 28020 14 129.9 9854 5 130.2 9942 5 145.4 13720 7 145.7 35040 18 146.0 42280 21 161.2 11190 6 161.5 19490 10 161.9 21690 11 162.3 16380 8 178.4 11730 6 178.9 35950 18 181.9 20030 10 182.2 22670 12 231.1 1659000 843 231.9 10260 5 232.1 14280 7 249.1 167200 85 256.7 20670 11 257.1 36890 19 284.6 10010 5 285.1 37670 19 302.6 10200 5 303.1 89000 45 303.4 32060 16 307.7 10040 5 315.2 9562 5 332.0 20620 10 359.8 35780 18 360.1 62540 32 378.1 1965000 999 //

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