MassBank Record: KO001682



 L-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001682
RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 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 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$LINK: PUBCHEM SID:4992
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 128 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0900000000-9446bb65e0edd72cfd59 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 46.200 306931.0 8 58.800 29703.0 1 82.200 608911.5 16 84.200 1202971.5 31 110.100 99010.0 3 127.900 38861425.0 999 //