MassBank Record: MSBNK-Waters-WA000365
ACCESSION: MSBNK-Waters-WA000365
RECORD_TITLE: Triazolam; 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$NAME: Triazolam
CH$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0005-0009000000-f8db9e997f45af10eb7e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
206 8 8
308 63 63
310 24 24
315 20 20
317 16 16
343 999 999
344 125 125
345 854 854
346 212 212
347 196 196
348 31 31
365 39 39
367 27 27
//
system version 2.2.8-SNAPSHOT