MassBank Record: WA001913



 Gabapentin; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001913
RECORD_TITLE: Gabapentin; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0fk9-0900000000-eb0a9deefbda642d0366 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 95 27 27 109 8 8 119 27 27 137 188 188 138 16 16 154 705 705 155 110 110 156 8 8 172 999 999 173 98 98 174 8 8 194 12 12 //