MassBank Record: WA002720



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

ACCESSION: WA002720
RECORD_TITLE: Isocarboxazid; 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$NAME: Isocarboxazid CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H13N3O2 CH$EXACT_MASS: 231.10078 CH$SMILES: Cc(o2)cc(n2)C(=O)NNCc(c1)cccc1 CH$IUPAC: InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16) CH$LINK: CAS 59-63-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.380 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: splash10-001i-0970000000-67f3fe3f6a7fc08493f0 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 103 24 24 106 282 282 108 20 20 110 86 86 115 121 121 122 20 20 123 8 8 130 86 86 132 729 729 133 20 20 144 39 39 146 16 16 150 8 8 154 47 47 157 8 8 162 8 8 163 47 47 164 8 8 166 12 12 168 12 12 172 51 51 173 12 12 187 8 8 190 12 12 194 8 8 196 8 8 198 12 12 200 12 12 204 16 16 205 8 8 212 8 8 219 8 8 221 24 24 228 8 8 232 999 999 233 90 90 234 12 12 245 8 8 249 24 24 254 219 219 255 43 43 260 8 8 270 27 27 //