ACCESSION: MSBNK-Waters-WA001070
RECORD_TITLE: Mianserin; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-014l-0920000000-da190b5eb35f2f244bc8
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  102 8 8
  103 313 313
  104 71 71
  105 341 341
  106 404 404
  107 31 31
  109 12 12
  115 889 889
  116 313 313
  117 748 748
  118 811 811
  119 102 102
  120 200 200
  127 16 16
  128 153 153
  129 102 102
  130 607 607
  131 274 274
  132 161 161
  133 55 55
  134 20 20
  141 35 35
  142 27 27
  143 39 39
  144 396 396
  145 106 106
  146 141 141
  147 31 31
  148 8 8
  151 8 8
  152 63 63
  153 27 27
  154 16 16
  155 16 16
  156 51 51
  157 90 90
  158 110 110
  159 43 43
  160 12 12
  161 106 106
  162 12 12
  165 337 337
  166 172 172
  167 90 90
  168 20 20
  169 16 16
  170 12 12
  171 16 16
  172 16 16
  173 35 35
  174 12 12
  176 24 24
  177 39 39
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  179 282 282
  180 106 106
  181 47 47
  182 12 12
  185 8 8
  189 24 24
  190 51 51
  191 118 118
  192 266 266
  193 999 999
  194 313 313
  195 31 31
  196 8 8
  202 31 31
  203 31 31
  204 251 251
  205 98 98
  206 439 439
  207 227 227
  208 302 302
  209 43 43
  210 8 8
  216 8 8
  217 86 86
  218 196 196
  219 86 86
  220 161 161
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  236 8 8
  247 47 47
  248 39 39
  249 20 20
  250 12 12
  251 8 8
  261 8 8
  262 8 8
  263 20 20
  265 27 27
  266 8 8
//