ACCESSION: MSBNK-Waters-WA002233
RECORD_TITLE: Iproniazid; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-00dr-1900000000-4646abba1a8cdf113ede
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  78 43 43
  79 102 102
  80 192 192
  92 20 20
  93 24 24
  101 12 12
  105 16 16
  106 51 51
  107 39 39
  108 20 20
  109 35 35
  120 47 47
  121 999 999
  122 59 59
  123 39 39
  137 106 106
  138 419 419
  139 24 24
  180 82 82
//