MassBank Record: MSBNK-Waters-WA000824
ACCESSION: MSBNK-Waters-WA000824
RECORD_TITLE: Estazolam; 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$NAME: Estazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H11ClN4
CH$EXACT_MASS: 294.06722
CH$SMILES: Clc(c3)cc(C=1c(c4)cccc4)c(c3)n(c2)c(nn2)CN1
CH$IUPAC: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
CH$LINK: CAS
29975-16-4
CH$LINK: INCHIKEY
CDCHDCWJMGXXRH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5020572
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.380 min
AC$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: splash10-00kb-0090000000-f6e2139c132f4495d017
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
104 12 12
138 43 43
140 16 16
142 12 12
157 8 8
165 16 16
167 12 12
192 55 55
194 12 12
205 51 51
206 8 8
227 16 16
231 8 8
232 8 8
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239 8 8
240 12 12
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243 35 35
251 12 12
252 8 8
260 86 86
261 12 12
266 20 20
267 744 744
268 121 121
269 255 255
270 35 35
284 39 39
286 12 12
295 999 999
296 129 129
297 360 360
298 43 43
313 8 8
317 8 8
333 24 24
335 12 12
336 16 16
376 8 8
589 8 8
591 8 8
619 8 8
627 8 8
//