MassBank Record: KO001700



 D-5-Oxoproline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001700
RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:50 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 128 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0f6t-9000000000-66d6b581cfeb4b89657f PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 45.300 59406.0 999 52.200 34653.5 583 //