ACCESSION: MSBNK-Waters-WA002076
RECORD_TITLE: Desmethylmaprotiline; 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$NAME: Desmethylmaprotiline
CH$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 75 V

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

PK$SPLASH: splash10-014l-0920000000-c9dfdd6a427873ce227e
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  103 12 12
  105 114 114
  115 325 325
  117 999 999
  118 78 78
  119 24 24
  128 188 188
  129 172 172
  131 306 306
  132 55 55
  141 525 525
  142 43 43
  143 94 94
  144 12 12
  153 24 24
  154 51 51
  155 74 74
  156 12 12
  165 501 501
  166 90 90
  167 31 31
  169 145 145
  170 16 16
  178 509 509
  179 200 200
  180 20 20
  181 20 20
  189 35 35
  190 118 118
  191 936 936
  192 141 141
  193 35 35
  202 43 43
  203 251 251
  204 443 443
  205 302 302
  206 47 47
  217 71 71
  218 63 63
  219 470 470
  220 59 59
  232 12 12
  247 16 16
  264 106 106
  265 16 16
//