ACCESSION: MSBNK-Waters-WA002232
RECORD_TITLE: Iproniazid; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-00b9-9800000000-8c8d28d657e80c66da09
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  78 282 282
  79 842 842
  80 247 247
  81 12 12
  92 16 16
  93 149 149
  94 16 16
  96 24 24
  105 31 31
  106 63 63
  107 74 74
  108 35 35
  109 27 27
  119 16 16
  120 24 24
  121 999 999
  122 51 51
  123 20 20
  137 74 74
  138 78 78
//