ACCESSION: MSBNK-Waters-WA001077
RECORD_TITLE: Midazolam; 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$NAME: Midazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₃ClFN₃
CH$EXACT_MASS: 325.07820
CH$SMILES: Clc(c3)cc(C=1c(c4)c(F)ccc4)c(c3)n(c(C)2)c(cn2)CN1
CH$IUPAC: InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
CH$LINK: CAS 59467-70-8
CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023320

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 13.360 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$SPLASH: splash10-002f-0094000000-ee2953accc3452c8468c
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  109 12 12
  129 8 8
  133 12 12
  164 8 8
  170 12 12
  177 8 8
  189 20 20
  196 8 8
  205 16 16
  208 24 24
  209 118 118
  210 16 16
  214 8 8
  222 8 8
  223 31 31
  224 8 8
  230 31 31
  231 16 16
  232 16 16
  244 247 247
  245 35 35
  246 86 86
  247 12 12
  249 110 110
  250 78 78
  251 8 8
  257 8 8
  258 51 51
  259 8 8
  260 12 12
  263 8 8
  265 20 20
  270 12 12
  271 8 8
  274 8 8
  284 8 8
  285 114 114
  286 16 16
  287 39 39
  288 8 8
  289 8 8
  290 172 172
  291 999 999
  292 165 165
  293 8 8
  297 8 8
  299 20 20
  306 12 12
  309 47 47
  310 8 8
  311 20 20
  326 815 815
  327 145 145
  328 290 290
  329 47 47
//