MassBank Record: MSJ00057



 L-gamma-Glutamyl-S-4-(2-hydroxybutyl)-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: MSJ00057
RECORD_TITLE: L-gamma-Glutamyl-S-4-(2-hydroxybutyl)-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: 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.
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$NAME: L-gamma-Glutamyl-S-4-(2-hydroxybutyl)-L-cysteinyl-glycine CH$COMPOUND_CLASS: Synthetic compound; Peptide CH$FORMULA: C14H25N3O7S CH$EXACT_MASS: 379.1413 CH$SMILES: O=C(N[C@@H](CSCCC(C)O)C(=O)NCC(=O)O)CC[C@H](N)C(=O)O CH$IUPAC: InChI=1S/C14H25N3O7S/c1-8(18)4-5-25-7-10(13(22)16-6-12(20)21)17-11(19)3-2-9(15)14(23)24/h8-10,18H,2-7,15H2,1H3,(H,16,22)(H,17,19)(H,20,21)(H,23,24)/t8?,9-,10-/m0/s1 CH$LINK: INCHIKEY SIAVLHRKFDCBGC-AGROOBSYSA-N
AC$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 380.1486
PK$SPLASH: splash10-0fb9-0179000000-f85186b7d45fb88310cb PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 104.0 1185 8 128.0 1779 12 144.1 2068 13 144.8 1264 8 147.7 8414 55 161.7 3279 21 174.2 809 5 199.1 1708 11 215.3 1835 12 216.0 1358 9 232.9 1757 11 233.9 39860 260 241.8 1920 13 251.0 95630 624 304.9 15180 99 305.5 1520 10 316.8 2864 19 362.1 1010 7 362.6 864 6 379.9 153100 999 380.6 2616 17 //

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