ACCESSION: MSBNK-Waters-WA001078
RECORD_TITLE: Midazolam; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-004i-0019000000-da2fb549902ba759e1c8
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  244 24 24
  246 8 8
  285 12 12
  290 27 27
  291 98 98
  292 20 20
  326 999 999
  327 172 172
  328 353 353
  329 63 63
  344 8 8
//