MassBank MassBank Search Contents Download

MassBank Record: KO003853

D-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003853
RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P092

CH$NAME: D-5-Oxoproline
CH$NAME: 5-Oxo-D-proline
CH$NAME: D-Pyroglutamic acid
CH$NAME: D-5-Pyrrolidone-2-carboxylic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H7NO3
CH$EXACT_MASS: 129.04259
CH$SMILES: O=C(C1)N[C@H](C1)C(O)=O
CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1
CH$LINK: CAS 4042-36-8
CH$LINK: CHEBI 16924
CH$LINK: KEGG C02237
CH$LINK: NIKKAJI J53.019K
CH$LINK: PUBCHEM SID:5301
CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N
CH$LINK: COMPTOX DTXSID10193432

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-2900000000-9822bdeccd471635a4e6
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  62.100 188119.0 76
  70.700 14851.5 6
  75.700 123762.5 50
  81.000 207921.0 84
  83.800 183168.5 74
  84.800 19802.0 8
  93.800 69307.0 28
  95.300 79208.0 32
  113.200 2460398.5 999
  130.000 1089110.0 442
//

Imprint Feedback
system version 2.1.11-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze