ACCESSION: MSBNK-Waters-WA000362
RECORD_TITLE: Triazolam; 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

CH$NAME: Triazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₂Cl₂N₄
CH$EXACT_MASS: 342.04390
CH$SMILES: Clc(c3)cc(C=1c(c4)c(Cl)ccc4)c(c3)n(c(C)2)c(nn2)CN1
CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
CH$LINK: CAS 28911-01-5
CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6046763

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 15.300 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

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

PK$SPLASH: splash10-05n3-0495000000-9f65c5dc204ed023709c
PK$NUM_PEAK: 137
PK$PEAK: m/z int. rel.int.
  101 71 71
  102 149 149
  103 94 94
  104 16 16
  111 145 145
  113 55 55
  115 31 31
  116 16 16
  125 20 20
  126 12 12
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//