MassBank Record: KO003648



 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: KO003648
RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 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: Pyroglutamate CH$NAME: 5-Pyrrolidone-2-carboxylic acid CH$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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 130 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9300000000-eabb8c4dc0d1111e0431 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 57.400 49505.0 45 62.600 14851.5 14 67.100 108911.0 99 68.900 94059.5 86 70.800 79208.0 72 73.300 14851.5 14 77.800 84158.5 77 80.900 94059.5 86 84.000 1094060.5 999 85.100 44554.5 41 86.800 34653.5 32 95.100 272277.5 249 102.000 19802.0 18 112.900 455446.0 416 130.200 301980.5 276 155.100 19802.0 18 //