MassBank Record: KO001189



 Isoguvacine; 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: KO001189
RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID I015

CH$NAME: Isoguvacine CH$NAME: 2,3,4,5-Tetrahydropyridine-2-carboxylate CH$NAME: delta1-Piperideine-6-L-carboxylate CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H9NO2 CH$EXACT_MASS: 127.06333 CH$SMILES: OC(=O)C(C1)=CCNC1 CH$IUPAC: InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9) CH$LINK: CAS 3038-89-9 CH$LINK: CHEBI 16987 CH$LINK: KEGG C00450 CH$LINK: PUBCHEM SID:3738
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 126 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00or-8900000000-7f995a78ae5b27b1fab4 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 57.700 19802.0 3 69.100 3727726.5 569 79.800 29703.0 5 82.000 702971.0 107 93.100 99010.0 15 96.900 1787130.5 273 126.100 6544561.0 999 //