MassBank Record: MSBNK-Waters-WA002230

Iproniazid; LC-ESI-Q; MS; POS; 90 V

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ACCESSION: MSBNK-Waters-WA002230
RECORD_TITLE: Iproniazid; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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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

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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 90 V

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

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PK$SPLASH: splash10-004i-9000000000-660e89762acfb6a062f0
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  78 98 98
  79 999 999
  80 184 184
  91 20 20
  93 59 59
  96 20 20
  105 27 27
  121 47 47
//