MassBank Record: KO003190



 Isoguvacine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003190
RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:40 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 128 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0036-9000000000-22f0355a02b5d64800a0 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 30.300 143564.5 966 40.900 29703.0 200 43.000 39604.0 266 43.200 24752.5 167 43.800 14851.5 100 55.300 84158.5 566 61.200 44554.5 300 65.100 64356.5 433 68.700 19802.0 133 76.800 148515.0 999 81.000 14851.5 100 82.200 24752.5 167 91.100 59406.0 400 93.000 29703.0 200 95.200 19802.0 133 //