MassBank Record: PR100377



 Cysteinylglycine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100377
RECORD_TITLE: Cysteinylglycine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Cysteinylglycine CH$NAME: Cys-Gly CH$NAME: L-Cysteinylglycine CH$NAME: (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid CH$NAME: S-Glycyl-L-cysteine CH$NAME: Glycine Cysteine Thioester CH$NAME: S-(2-Amino-1-oxoethyl)cysteine CH$COMPOUND_CLASS: Dipeptide CH$FORMULA: C5H10N2O3S CH$EXACT_MASS: 178.04121 CH$SMILES: OC(=O)CNC(=O)C(N)CS CH$IUPAC: InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1 CH$LINK: CAS 19246-18-5 CH$LINK: CHEMSPIDER 388596 CH$LINK: KEGG C01419 CH$LINK: PUBCHEM CID:439498 CH$LINK: INCHIKEY ZUKPVRWZDMRIEO-VKHMYHEASA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 179.04901 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9700000000-6fba6043a24b724b037e PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 58.9947 13.14 94 76.0217 139 999 96.8967 22.7 163 116.0155 29.37 211 137.9226 40.34 290 144.0106 17.36 125 162.0198 38.54 277 179.0490 10.66 77 //