MassBank Record: MSBNK-Waters-WA000827
ACCESSION: MSBNK-Waters-WA000827
RECORD_TITLE: Estazolam; LC-ESI-Q; MS; POS; 15 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0090010000-977c70e05acc26a83bc1
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
115 16 16
235 27 27
242 20 20
295 999 999
296 153 153
297 329 329
298 47 47
313 27 27
333 24 24
335 12 12
336 16 16
440 24 24
589 149 149
590 35 35
591 106 106
592 27 27
593 20 20
627 12 12
629 12 12
//