MassBank Record: MSJ00073



 L-gamma-Glutamyl-S-3-(1-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: MSJ00073
RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-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$NAME: L-gamma-Glutamyl-S-3-(1-hydroxybutyl)-L-cysteinyl-glycine CH$COMPOUND_CLASS: Synthetic compound; Peptide CH$FORMULA: C14H25N3O7S CH$EXACT_MASS: 379.1413 CH$SMILES: O=C(N[C@@H](CSC(C)CCO)C(=O)NCC(=O)O)CC[C@H](N)C(=O)O CH$IUPAC: InChI=1S/C14H25N3O7S/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/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$LINK: INCHIKEY SLDQURKLQRTWJV-AGROOBSYSA-N
AC$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$SPLASH: splash10-004i-0159000000-c5fbcf07e5fb791e3bd0 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 130.7 112400 21 147.7 311000 58 161.7 346600 64 234.0 980200 181 251.0 2644000 489 305.0 251900 47 361.9 31610 6 379.9 5403000 999 //

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