MassBank Record: KO001742



 Quisqualic acid; 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: KO001742
RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:30 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 Q003

CH$NAME: Quisqualate CH$NAME: Quisqualic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H7N3O5 CH$EXACT_MASS: 189.03857 CH$SMILES: N[C@H](C(O)=O)CN(O1)C(=O)NC(=O)1 CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H CH$LINK: PUBCHEM SID:10494
AC$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$FOCUSED_ION: PRECURSOR_M/Z 188 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0f6x-9400000000-4e74b9e5a103d1d784ce PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 42.100 128713.0 999 100.900 69307.0 538 //