MassBank Record: KO003649



 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: KO003649
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: 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 130 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lr-9100000000-1dd17702aee7e5bce618 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 56.300 79208.0 213 67.100 163366.5 440 69.000 113861.5 306 70.800 49505.0 133 84.300 371287.5 999 95.100 54455.5 147 130.000 103960.5 280 //