MassBank Record: MSJ00075



 L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-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: MSJ00075
RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-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$NAME: L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-L-cysteinyl-glycine CH$COMPOUND_CLASS: Synthetic compound; Peptide CH$FORMULA: C13H23N3O7S CH$EXACT_MASS: 365.1257 CH$SMILES: O=C(N[C@@H](CSCCCO)C(=O)NCC(=O)O)CC[C@H](N)C(=O)O CH$IUPAC: InChI=1S/C13H23N3O7S/c14-8(13(22)23)2-3-10(18)16-9(7-24-5-1-4-17)12(21)15-6-11(19)20/h8-9,17H,1-7,14H2,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t8-,9-/m0/s1 CH$LINK: INCHIKEY PWWFPJVDCXEMMZ-IUCAKERBSA-N CH$LINK: PUBCHEM CID:101685593
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$FOCUSED_ION: PRECURSOR_M/Z 366.1329
PK$SPLASH: splash10-014r-0197000000-157b7b7514ab3b8a7123 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 116.1 27850 8 116.7 101000 28 129.7 101500 28 133.6 358300 98 201.7 38070 10 219.9 1260000 346 236.9 2794000 768 273.0 17200 5 291.0 236900 65 303.0 19280 5 347.8 24400 7 365.9 3635000 999 //

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