ACCESSION: MSBNK-Waters-WA000823
RECORD_TITLE: Estazolam; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-014i-0190000000-690cdfe19e0250f1fbc9
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  104 51 51
  105 8 8
  113 8 8
  116 8 8
  118 12 12
  129 16 16
  131 27 27
  138 114 114
  139 12 12
  140 39 39
  145 8 8
  157 39 39
  158 12 12
  163 8 8
  165 67 67
  167 24 24
  178 8 8
  179 8 8
  183 8 8
  184 8 8
  190 43 43
  191 24 24
  192 71 71
  193 8 8
  194 20 20
  203 12 12
  204 20 20
  205 576 576
  206 63 63
  216 16 16
  224 12 12
  226 16 16
  227 31 31
  229 12 12
  231 27 27
  232 31 31
  233 35 35
  234 12 12
  239 51 51
  240 121 121
  241 259 259
  242 71 71
  243 74 74
  244 12 12
  251 20 20
  252 16 16
  253 8 8
  260 98 98
  261 16 16
  266 24 24
  267 999 999
  268 165 165
  269 345 345
  270 55 55
  284 31 31
  286 12 12
  295 447 447
  296 63 63
  297 157 157
  298 24 24
  333 27 27
  335 12 12
  336 12 12
  589 8 8
  591 8 8
  627 8 8
//