MassBank Record: MSBNK-Waters-WA000297
ACCESSION: MSBNK-Waters-WA000297
RECORD_TITLE: Temazepam; 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$NAME: Temazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13ClN2O2
CH$EXACT_MASS: 300.06656
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
CH$LINK: CAS
846-50-4
CH$LINK: INCHIKEY
SEQDDYPDSLOBDC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021309
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.850 min
AC$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: splash10-0a4i-0290000000-c97c0a8a4be10669608e
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
104 55 55
107 8 8
117 27 27
125 16 16
127 12 12
142 12 12
150 8 8
152 12 12
166 8 8
177 27 27
179 8 8
180 59 59
181 12 12
182 20 20
193 262 262
194 39 39
216 27 27
218 8 8
221 20 20
228 180 180
229 24 24
230 67 67
231 8 8
240 16 16
242 8 8
245 16 16
255 999 999
256 129 129
257 372 372
258 51 51
259 8 8
283 24 24
285 8 8
301 8 8
323 63 63
324 8 8
325 20 20
339 8 8
364 8 8
//