MassBank Record: KO001190



 Isoguvacine; 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: KO001190
RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 126 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9000000000-edf1e2ef457550176084 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 52.900 29703.0 16 69.100 1910893.0 999 81.800 39604.0 21 92.800 39604.0 21 97.200 158416.0 83 126.000 118812.0 62 //