MassBank Record: MT000089



 Glycylvaline; LC-ESI-IT; MS2; m/z: 175.1; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000089
RECORD_TITLE: Glycylvaline; LC-ESI-IT; MS2; m/z: 175.1; [M+H]+
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Glycylvaline CH$COMPOUND_CLASS: Natural Product; Peptide CH$FORMULA: C7H14N2O3 CH$EXACT_MASS: 174.10044 CH$SMILES: NCC(=O)NC([H])(C(C)C)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CAS 1963-21-9 CH$LINK: INCHIKEY STKYPAFSDFAEPH-LURJTMIESA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 175.1 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-056r-0900000000-99f1c536c72d3bf875f5 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 72.2 0.7 7 118.2 9.7 97 129.1 100.0 999 130.1 0.3 3 157.0 52.7 526 158.1 0.3 3 //