ACCESSION: MSBNK-Waters-WA000826
RECORD_TITLE: Estazolam; LC-ESI-Q; MS; POS; 30 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 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0002-0090000000-c879430c298e368d8ab7
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  115 16 16
  242 16 16
  295 999 999
  296 149 149
  297 353 353
  298 47 47
  313 24 24
  315 8 8
  333 31 31
  335 12 12
  336 16 16
  440 12 12
  589 20 20
  591 12 12
//