ACCESSION: MSBNK-Waters-WA000906
RECORD_TITLE: alpha-Hydroxytriazolam; 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$NAME: alpha-Hydroxytriazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₂Cl₂N₄O
CH$EXACT_MASS: 358.03882
CH$SMILES: OCc(n4)n(c(n4)2)c(c3)c(cc(Cl)c3)C(=NC2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2
CH$LINK: CAS 37115-45-0
CH$LINK: INCHIKEY BHUYWUDMVCLHND-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50958284

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 14.800 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$SPLASH: splash10-0kdu-0494000000-4f4bea3f2912e7c6401a
PK$NUM_PEAK: 183
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//