MassBank Record: MSBNK-Waters-WA001077
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
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327 145 145
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329 47 47
//