MassBank Record: MSBNK-Waters-WA001000
ACCESSION: MSBNK-Waters-WA001000
RECORD_TITLE: Diazepam; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Diazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13ClN2O
CH$EXACT_MASS: 284.07164
CH$SMILES: O=C(C1)N=C(c(c3)cccc3)c(c2)c(ccc(Cl)2)N(C)1
CH$IUPAC: InChI=1S/C16H13ClN2O/c1-19-10-15(20)18-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19/h2-9H,10H2,1H3
CH$LINK: CAS
439-14-5
CH$LINK: INCHIKEY
JFFQHFQOJYMFOE-UHFFFAOYSA-N
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 16.900 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0960000000-265032d282134a9bf79e
PK$NUM_PEAK: 88
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//
system version 2.2.6-SNAPSHOT