ACCESSION: MSBNK-Waters-WA002075
RECORD_TITLE: Desmethylmaprotiline; 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$NAME: Desmethylmaprotiline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁N
CH$EXACT_MASS: 263.16740
CH$SMILES: NCCCC(C3)(c21)c(c4)c(ccc4)C(C3)c(cccc2)1
CH$IUPAC: InChI=1S/C19H21N/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-4,6-9,14H,5,10-13,20H2
CH$LINK: CAS 5721-37-9
CH$LINK: INCHIKEY IFHUOEQJTQWFGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80205839

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 14.460 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$SPLASH: splash10-0gdl-0920000000-03fb061811010ae8d89f
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  103 35 35
  105 63 63
  106 16 16
  115 799 799
  116 98 98
  117 470 470
  118 59 59
  127 16 16
  128 376 376
  129 137 137
  131 121 121
  132 47 47
  139 16 16
  141 407 407
  142 51 51
  143 27 27
  145 24 24
  152 47 47
  153 63 63
  154 59 59
  155 67 67
  156 16 16
  164 27 27
  165 674 674
  166 98 98
  167 27 27
  168 12 12
  169 39 39
  176 12 12
  177 12 12
  178 842 842
  179 223 223
  180 27 27
  189 243 243
  190 298 298
  191 999 999
  192 145 145
  193 16 16
  202 192 192
  203 693 693
  204 521 521
  205 153 153
  206 20 20
  215 31 31
  216 16 16
  217 114 114
  218 63 63
  219 102 102
  220 12 12
  264 118 118
  265 16 16
//