ACCESSION: MSBNK-Waters-WA001071
RECORD_TITLE: Mianserin; 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$NAME: Mianserin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₀N₂
CH$EXACT_MASS: 264.16265
CH$SMILES: CN(C4)CC(c21)N(C4)c(c3)c(ccc3)Cc(cccc2)1
CH$IUPAC: InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
CH$LINK: CAS 24219-97-4
CH$LINK: INCHIKEY UEQUQVLFIPOEMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023317

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 13.200 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$SPLASH: splash10-066u-0930000000-647fe41a27cace59182e
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  103 110 110
  104 16 16
  105 286 286
  106 360 360
  107 27 27
  109 8 8
  115 388 388
  116 121 121
  117 564 564
  118 858 858
  119 110 110
  120 309 309
  121 16 16
  128 43 43
  129 114 114
  130 368 368
  131 204 204
  132 239 239
  133 63 63
  134 24 24
  141 20 20
  142 16 16
  143 16 16
  144 294 294
  145 94 94
  146 247 247
  147 55 55
  148 20 20
  152 8 8
  153 16 16
  155 8 8
  156 24 24
  157 78 78
  158 180 180
  159 51 51
  160 31 31
  161 255 255
  162 20 20
  165 59 59
  166 59 59
  167 39 39
  168 8 8
  170 16 16
  171 12 12
  172 47 47
  173 43 43
  174 24 24
  177 12 12
  178 176 176
  179 184 184
  180 63 63
  181 59 59
  182 16 16
  183 8 8
  190 12 12
  191 55 55
  192 121 121
  193 705 705
  194 294 294
  195 39 39
  196 8 8
  202 16 16
  203 24 24
  204 121 121
  205 78 78
  206 255 255
  207 180 180
  208 999 999
  209 114 114
  210 16 16
  217 27 27
  218 118 118
  219 67 67
  220 219 219
  221 39 39
  222 176 176
  223 24 24
  224 8 8
  232 35 35
  233 31 31
  234 59 59
  235 39 39
  236 16 16
  247 35 35
  248 74 74
  249 31 31
  250 51 51
  251 24 24
  261 16 16
  262 8 8
  263 98 98
  264 16 16
  265 129 129
  266 16 16
//