MassBank Record: MSJ00074



 L-gamma-Glutamyl-S-3-(1-oxopropyl)-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: MSJ00074
RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-oxopropyl)-L-cysteinyl-glycine; ESI-QQ; MS2; CE 10 eV; [M+H]+
DATE: 2018.12.05
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$NAME: L-gamma-Glutamyl-S-3-(1-oxopropyl)-L-cysteinyl-glycine CH$COMPOUND_CLASS: Synthetic compound; Peptide CH$FORMULA: C13H21N3O7S CH$EXACT_MASS: 363.1100 CH$SMILES: O=C(N[C@@H](CSCCC=O)C(=O)NCC(=O)O)CC[C@H](N)C(=O)O CH$IUPAC: InChI=1S/C13H21N3O7S/c14-8(13(22)23)2-3-10(18)16-9(7-24-5-1-4-17)12(21)15-6-11(19)20/h4,8-9H,1-3,5-7,14H2,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t8-,9-/m0/s1 CH$LINK: INCHIKEY RDNSBKKJIQKSJT-IUCAKERBSA-N CH$LINK: PUBCHEM CID:21155477
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$FOCUSED_ION: PRECURSOR_M/Z 364.1173
PK$SPLASH: splash10-02t9-0097000000-e70b8064e4e1051b0856 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 83.8 768 10 113.0 357 5 113.7 1811 24 115.3 373 5 131.9 582 8 141.4 392 5 143.8 1244 16 161.2 355 5 161.8 417 5 178.8 1236 16 198.9 436 6 216.9 76880 999 235.0 2149 28 243.1 686 9 270.9 1981 26 288.9 3393 44 300.4 431 6 345.5 460 6 346.2 982 13 363.9 66700 867 364.5 450 6 //

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