MassBank Record: WA001912



 Gabapentin; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001912
RECORD_TITLE: Gabapentin; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Gabapentin CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H17NO2 CH$EXACT_MASS: 171.12593 CH$SMILES: NCC(C1)(CCCC1)CC(O)=O CH$IUPAC: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) CH$LINK: CAS 60142-96-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 6.300 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udr-2900000000-fd69d2593a4191486210 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 79 8 8 81 27 27 91 172 172 93 137 137 95 380 380 96 24 24 109 192 192 110 47 47 112 12 12 119 270 270 120 20 20 126 24 24 136 43 43 137 772 772 138 71 71 154 999 999 155 145 145 156 12 12 172 427 427 173 47 47 190 8 8 194 12 12 //