MassBank Record: MSBNK-Waters-WA000298
ACCESSION: MSBNK-Waters-WA000298
RECORD_TITLE: Temazepam; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0091000000-309adf0251c99f514813
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
104 12 12
180 35 35
182 12 12
193 20 20
216 20 20
218 8 8
228 67 67
229 8 8
230 24 24
240 24 24
245 16 16
255 999 999
256 129 129
257 345 345
258 43 43
283 262 262
284 39 39
285 90 90
286 12 12
301 121 121
302 20 20
303 43 43
323 125 125
324 16 16
325 43 43
326 8 8
339 12 12
364 12 12
//