ACCESSION: MSBNK-Waters-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: CC BY-NC

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$LINK: CAS 54-92-2
CH$LINK: INCHIKEY NYMGNSNKLVNMIA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023168

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 8.000 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 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
//