ACCESSION: MSBNK-Waters-WA000773
RECORD_TITLE: Medazepam; LC-ESI-Q; MS; POS; 75 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 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0790000000-5147a3ac09960a30fce5
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  103 16 16
  104 27 27
  106 16 16
  115 8 8
  116 8 8
  117 149 149
  118 20 20
  125 31 31
  127 12 12
  128 8 8
  130 55 55
  131 63 63
  132 16 16
  138 8 8
  140 12 12
  150 8 8
  151 8 8
  152 51 51
  153 16 16
  154 20 20
  164 24 24
  165 392 392
  166 82 82
  167 102 102
  168 12 12
  178 39 39
  179 82 82
  180 94 94
  181 27 27
  182 24 24
  191 12 12
  192 47 47
  193 302 302
  194 71 71
  195 20 20
  201 8 8
  204 27 27
  205 8 8
  206 274 274
  207 999 999
  208 141 141
  209 8 8
  214 20 20
  216 12 12
  217 8 8
  218 59 59
  219 35 35
  220 12 12
  221 16 16
  227 90 90
  228 118 118
  229 47 47
  230 74 74
  231 8 8
  232 12 12
  235 8 8
  240 8 8
  241 24 24
  242 47 47
  243 16 16
  244 24 24
  254 39 39
  255 20 20
  256 20 20
  257 8 8
  271 27 27
  273 8 8
//