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
//