MassBank Record: MSBNK-Waters-WA000825
ACCESSION: MSBNK-Waters-WA000825
RECORD_TITLE: Estazolam; 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$NAME: Estazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H11ClN4
CH$EXACT_MASS: 294.06722
CH$SMILES: Clc(c3)cc(C=1c(c4)cccc4)c(c3)n(c2)c(nn2)CN1
CH$IUPAC: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
CH$LINK: CAS
29975-16-4
CH$LINK: INCHIKEY
CDCHDCWJMGXXRH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5020572
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.380 min
AC$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: splash10-0002-0090000000-0242e1803fb50b75ce06
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
241 16 16
242 16 16
260 8 8
267 110 110
268 16 16
269 35 35
284 16 16
295 999 999
296 125 125
297 357 357
298 47 47
313 12 12
333 24 24
335 8 8
336 16 16
358 8 8
//
system version 2.2.6-SNAPSHOT