MassBank Record: MSBNK-Waters-WA002952
ACCESSION: MSBNK-Waters-WA002952
RECORD_TITLE: Clonazepam; 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$NAME: Clonazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H10ClN3O3
CH$EXACT_MASS: 315.04107
CH$SMILES: [O-1][N+1](=O)c(c3)cc(c(c3)2)C(=NCC(=O)N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
CH$LINK: CAS
1622-61-3
CH$LINK: INCHIKEY
DGBIGWXXNGSACT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1022845
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.600 min
AC$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: splash10-00di-0092000000-979b01b9785cfcecabd2
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
105 12 12
106 8 8
109 8 8
125 8 8
130 16 16
151 12 12
158 24 24
176 16 16
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180 8 8
187 8 8
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217 16 16
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273 35 35
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316 333 333
317 47 47
318 118 118
319 16 16
//