MassBank Record: KO001537



 L-5-Oxoproline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001537
RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:30 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 O008

CH$NAME: L-5-Oxoproline CH$NAME: 5-Pyrrolidone-2-carboxylic acid CH$NAME: Pyroglutamate CH$NAME: Pyroglutamic acid CH$NAME: 5-Oxoproline CH$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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 128 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-5900000000-ea3a164653e4235716ae PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 42.100 29703.0 16 44.900 14851.5 8 52.100 34653.5 19 53.900 59406.0 32 72.300 19802.0 11 81.900 767327.5 416 83.300 14851.5 8 84.300 99010.0 54 128.000 1841586.0 999 //