ACCESSION: MSBNK-Waters-WA000824
RECORD_TITLE: Estazolam; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-00kb-0090000000-f6e2139c132f4495d017
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  104 12 12
  138 43 43
  140 16 16
  142 12 12
  157 8 8
  165 16 16
  167 12 12
  192 55 55
  194 12 12
  205 51 51
  206 8 8
  227 16 16
  231 8 8
  232 8 8
  233 12 12
  239 8 8
  240 12 12
  241 129 129
  242 27 27
  243 35 35
  251 12 12
  252 8 8
  260 86 86
  261 12 12
  266 20 20
  267 744 744
  268 121 121
  269 255 255
  270 35 35
  284 39 39
  286 12 12
  295 999 999
  296 129 129
  297 360 360
  298 43 43
  313 8 8
  317 8 8
  333 24 24
  335 12 12
  336 16 16
  376 8 8
  589 8 8
  591 8 8
  619 8 8
  627 8 8
//