ACCESSION: MSBNK-Waters-WA002078
RECORD_TITLE: Desmethylmaprotiline; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-014i-0960000000-6550118ac6180ef2be1d
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  105 31 31
  117 999 999
  118 67 67
  119 86 86
  129 71 71
  131 219 219
  132 27 27
  141 82 82
  143 149 149
  155 39 39
  165 118 118
  169 576 576
  170 71 71
  179 39 39
  181 35 35
  191 106 106
  192 12 12
  193 12 12
  205 196 196
  206 31 31
  219 278 278
  220 39 39
  236 67 67
  237 12 12
  247 329 329
  248 59 59
  264 721 721
  265 110 110
  266 12 12
//