MassBank Record: WA002231



 Iproniazid; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002231
RECORD_TITLE: Iproniazid; LC-ESI-Q; MS; POS; 75 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$NAME: Iproniazid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H13N3O CH$EXACT_MASS: 179.10586 CH$SMILES: CC(C)NNC(=O)c(c1)ccnc1 CH$IUPAC: InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13) CH$LINK: CAS 54-92-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 8.000 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-9200000000-638f945b1e6c2454c1f8 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 78 188 188 79 999 999 80 204 204 93 110 110 96 16 16 105 27 27 107 16 16 108 20 20 119 12 12 121 259 259 122 12 12 //