MassBank Record: WA002723



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

ACCESSION: WA002723
RECORD_TITLE: Isocarboxazid; LC-ESI-Q; MS; NEG; 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$NAME: Isocarboxazid CH$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 NEGATIVE 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: splash10-001r-0980000000-1039255ea4f6624ed6ac PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 105 67 67 107 12 12 109 59 59 112 20 20 113 94 94 115 12 12 119 31 31 121 51 51 124 114 114 127 12 12 128 35 35 136 43 43 137 599 599 139 231 231 141 39 39 142 20 20 143 8 8 144 8 8 148 35 35 151 39 39 154 12 12 165 12 12 167 16 16 177 31 31 181 43 43 182 20 20 183 16 16 189 8 8 191 16 16 192 20 20 194 8 8 198 20 20 199 31 31 200 35 35 209 12 12 211 43 43 213 31 31 214 16 16 215 114 114 216 20 20 219 35 35 220 20 20 224 31 31 230 999 999 231 196 196 234 20 20 235 8 8 237 12 12 239 27 27 242 16 16 255 12 12 256 8 8 264 16 16 265 27 27 269 16 16 //