ACCESSION: MSBNK-Waters-WA002719
RECORD_TITLE: Isocarboxazid; LC-ESI-Q; MS; POS; 60 V, 90 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 60 V, 90 V

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

PK$SPLASH: splash10-0a59-0930000000-e74c0d8337bed8d05079
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  103 82 82
  104 145 145
  106 999 999
  110 24 24
  114 12 12
  115 161 161
  116 16 16
  120 16 16
  122 51 51
  124 16 16
  127 12 12
  129 16 16
  130 27 27
  132 110 110
  138 16 16
  140 8 8
  142 20 20
  146 24 24
  149 24 24
  158 8 8
  162 31 31
  166 24 24
  172 8 8
  173 8 8
  174 12 12
  184 27 27
  185 12 12
  187 16 16
  188 12 12
  190 27 27
  196 8 8
  200 16 16
  205 8 8
  208 12 12
  219 12 12
  229 8 8
  232 501 501
  233 67 67
  234 16 16
  235 8 8
  244 8 8
  249 27 27
  250 16 16
  251 8 8
  254 27 27
  255 8 8
  268 8 8
  270 8 8
//