MassBank Record: MSBNK-Waters-WA000775
ACCESSION: MSBNK-Waters-WA000775
RECORD_TITLE: Medazepam; 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$NAME: Medazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H15ClN2
CH$EXACT_MASS: 270.09238
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NCCN(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
CH$LINK: CAS
2898-12-6
CH$LINK: INCHIKEY
YLCXGBZIZBEVPZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1048708
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.800 min
AC$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: splash10-00di-0190000000-42558d602f3d5f4c6574
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
106 24 24
152 12 12
154 8 8
165 20 20
166 16 16
167 8 8
168 8 8
179 8 8
180 200 200
181 20 20
182 67 67
193 8 8
207 114 114
208 16 16
219 31 31
228 31 31
230 20 20
236 8 8
242 231 231
243 35 35
244 86 86
245 12 12
254 39 39
255 8 8
256 16 16
271 999 999
272 145 145
273 357 357
274 51 51
//