MassBank Record: MT000142



 L-5-Oxoproline; LC-ESI-IT; MS2; m/z: 130.1; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000142
RECORD_TITLE: L-5-Oxoproline; LC-ESI-IT; MS2; m/z: 130.1; [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$NAME: L-5-Oxoproline CH$NAME: 5-oxoproline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H7NO3 CH$EXACT_MASS: 129.04259 CH$SMILES: O=C(C1)NC(C1)C(O)=O CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 CH$LINK: CAS 98-79-3 CH$LINK: HMDB HMDB00267 CH$LINK: KEGG C01879 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N
AC$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 130.1 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-001i-9000000000-0f1d7e67dfe0b5f4f6c3 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 56.2 2.2 22 57.2 0.1 1 59.3 0.2 2 69.2 0.2 2 70.2 0.1 1 71.2 0.1 1 74.2 1.7 17 84.1 100.0 999 85.1 1.7 17 87.1 0.6 6 97.1 0.2 2 101.3 0.2 2 102.1 2.8 28 109.1 0.1 1 111.1 1.5 15 112.2 0.4 4 130.1 1.0 10 //