MassBank Record: KO003818



 L-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) \n

ACCESSION: KO003818
RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P073

CH$NAME: L-5-Oxoproline(2) CH$NAME: Pyroglutamate CH$NAME: 5-Pyrrolidone-2-carboxylic acid CH$NAME: Pyroglutamic acid CH$NAME: 5-Oxoproline CH$NAME: L-5-Oxoproline CH$COMPOUND_CLASS: N/A CH$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$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J CH$LINK: PUBCHEM SID:4992 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N
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: splash10-03e9-3900000000-da8cf252285c1d616586 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 56.400 24752.5 10 57.800 9901.0 4 76.000 212871.5 86 79.600 113861.5 46 80.900 460396.5 186 83.900 173267.5 70 85.200 44554.5 18 87.200 54455.5 22 93.700 455446.0 184 95.300 74257.5 30 97.600 69307.0 28 102.600 173267.5 70 111.900 69307.0 28 113.000 2475250.0 999 130.000 1866338.5 753 //