ACCESSION: MSBNK-Waters-WA002721
RECORD_TITLE: Isocarboxazid; 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: CC BY-NC

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$LINK: CAS 59-63-2
CH$LINK: INCHIKEY XKFPYPQQHFEXRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023171

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 14.380 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001i-0090000000-b50c8689fbee032c2cc1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  106 12 12
  132 102 102
  154 8 8
  174 8 8
  190 12 12
  200 8 8
  202 8 8
  214 8 8
  232 999 999
  233 133 133
  234 12 12
  254 98 98
  255 12 12
  270 8 8
//