MassBank Record: MSBNK-Waters-WA000822
ACCESSION: MSBNK-Waters-WA000822
RECORD_TITLE: Estazolam; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0290000000-b075241a8f7dfede5e4e
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
103 12 12
104 59 59
111 12 12
116 8 8
118 24 24
129 31 31
130 12 12
131 24 24
138 82 82
139 12 12
140 24 24
145 8 8
152 20 20
153 8 8
154 8 8
157 31 31
158 8 8
163 31 31
164 8 8
165 63 63
167 16 16
177 8 8
178 20 20
179 12 12
190 86 86
191 35 35
192 43 43
199 8 8
203 16 16
204 27 27
205 999 999
206 137 137
207 8 8
215 8 8
216 20 20
218 8 8
224 12 12
226 8 8
227 20 20
229 8 8
231 39 39
232 39 39
233 24 24
238 8 8
239 106 106
240 133 133
241 208 208
242 63 63
243 51 51
244 8 8
252 12 12
253 8 8
260 31 31
266 12 12
267 372 372
268 51 51
269 125 125
270 20 20
284 12 12
295 157 157
296 20 20
297 51 51
298 8 8
333 24 24
335 8 8
336 8 8
//