ACCESSION: MSBNK-Waters-WA000774
RECORD_TITLE: Medazepam; 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$NAME: Medazepam
CH$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 60 V

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

PK$SPLASH: splash10-0a4i-0490000000-ca081d6d6f224b3ee5d7
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  104 8 8
  106 51 51
  117 67 67
  118 12 12
  120 12 12
  125 12 12
  130 20 20
  131 51 51
  132 20 20
  140 8 8
  152 43 43
  153 12 12
  154 24 24
  164 12 12
  165 278 278
  166 63 63
  167 94 94
  168 20 20
  178 16 16
  179 55 55
  180 372 372
  181 47 47
  182 114 114
  183 12 12
  192 8 8
  193 114 114
  194 31 31
  195 16 16
  201 8 8
  204 12 12
  206 39 39
  207 999 999
  208 145 145
  209 12 12
  214 16 16
  216 12 12
  218 51 51
  219 71 71
  220 12 12
  221 16 16
  227 47 47
  228 176 176
  229 39 39
  230 129 129
  231 16 16
  232 24 24
  235 16 16
  236 16 16
  241 8 8
  242 274 274
  243 47 47
  244 118 118
  245 16 16
  246 8 8
  254 94 94
  255 24 24
  256 43 43
  257 8 8
  269 8 8
  271 380 380
  272 55 55
  273 137 137
  274 20 20
//