ACCESSION: MSBNK-Waters-WA001072
RECORD_TITLE: Mianserin; 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$NAME: Mianserin
CH$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 60 V

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

PK$SPLASH: splash10-0aor-0790000000-01edcba57ce3a112f5a7
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  103 8 8
  105 63 63
  106 86 86
  107 8 8
  115 51 51
  116 8 8
  117 114 114
  118 325 325
  119 35 35
  120 121 121
  129 35 35
  130 67 67
  131 47 47
  132 90 90
  133 24 24
  134 12 12
  144 74 74
  145 20 20
  146 149 149
  147 20 20
  148 31 31
  156 8 8
  157 16 16
  158 78 78
  159 27 27
  160 31 31
  161 153 153
  162 12 12
  172 47 47
  173 12 12
  174 31 31
  178 20 20
  179 55 55
  180 8 8
  181 16 16
  191 12 12
  192 12 12
  193 110 110
  194 78 78
  195 8 8
  203 8 8
  204 16 16
  205 20 20
  206 71 71
  207 24 24
  208 999 999
  209 141 141
  210 12 12
  218 20 20
  219 24 24
  220 90 90
  221 12 12
  222 157 157
  223 20 20
  232 12 12
  234 71 71
  235 20 20
  236 20 20
  237 8 8
  247 8 8
  248 43 43
  249 12 12
  250 90 90
  251 35 35
  262 8 8
  263 196 196
  264 24 24
  265 400 400
  266 71 71
//