ACCESSION: MSBNK-Waters-WA001076
RECORD_TITLE: Midazolam; 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$NAME: Midazolam
CH$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 75 V

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

PK$SPLASH: splash10-0006-0190000000-1d58b5efc060db413847
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  102 12 12
  109 20 20
  121 12 12
  123 12 12
  128 16 16
  129 90 90
  130 8 8
  133 16 16
  137 16 16
  146 8 8
  147 8 8
  148 20 20
  152 27 27
  153 8 8
  154 12 12
  155 8 8
  162 20 20
  163 12 12
  164 51 51
  165 8 8
  166 12 12
  169 16 16
  170 55 55
  173 8 8
  177 20 20
  178 12 12
  180 8 8
  182 8 8
  183 39 39
  184 31 31
  189 98 98
  190 16 16
  191 31 31
  195 12 12
  196 63 63
  197 8 8
  202 8 8
  203 24 24
  204 8 8
  205 35 35
  207 8 8
  208 74 74
  209 431 431
  210 63 63
  211 8 8
  214 16 16
  215 20 20
  217 24 24
  219 12 12
  222 71 71
  223 243 243
  224 43 43
  229 16 16
  230 51 51
  231 35 35
  232 24 24
  233 20 20
  236 12 12
  237 12 12
  238 12 12
  243 16 16
  244 223 223
  245 51 51
  246 78 78
  247 20 20
  249 294 294
  250 208 208
  251 31 31
  256 8 8
  257 31 31
  258 110 110
  259 27 27
  260 35 35
  261 8 8
  262 8 8
  263 24 24
  264 12 12
  265 43 43
  267 16 16
  268 12 12
  270 43 43
  271 27 27
  272 12 12
  273 24 24
  274 20 20
  275 12 12
  276 16 16
  283 8 8
  284 27 27
  285 129 129
  286 27 27
  287 43 43
  288 8 8
  289 47 47
  290 118 118
  291 999 999
  292 172 172
  293 16 16
  297 12 12
  298 8 8
  299 20 20
  301 8 8
  306 16 16
  307 8 8
  309 82 82
  310 16 16
  311 43 43
  312 8 8
  325 24 24
  326 161 161
  327 35 35
  328 51 51
  329 8 8
//