MassBank Record: KO003187



 Isoguvacine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003187
RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:10 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 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$SMILES: OC(=O)C(C1)N=CCC1 CH$IUPAC: InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 128 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-2900000000-359c13aea0b555f15fdd PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 22.800 44554.5 1 36.100 64356.5 1 46.000 876238.5 10 50.100 613862.0 7 54.100 94059.5 1 54.900 54455.5 1 60.900 495050.0 6 64.300 539604.5 6 67.200 14851.5 1 68.400 29703.0 1 73.500 39604.0 1 74.300 14851.5 1 78.000 20321802.5 237 79.100 49505.0 1 83.000 84158.5 1 91.700 29703.0 1 92.000 54455.5 1 93.200 69307.0 1 96.000 202970.5 2 109.900 242574.5 3 111.300 8707929.5 102 128.100 85608996.5 999 146.200 74257.5 1 //