ACCESSION: MSBNK-Waters-WA002084
RECORD_TITLE: Maprotiline; 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$NAME: Maprotiline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₃N
CH$EXACT_MASS: 277.18305
CH$SMILES: CNCCCC(C3)(c21)c(c4)c(ccc4)C(C3)c(cccc2)1
CH$IUPAC: InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
CH$LINK: CAS 10262-69-8
CH$LINK: INCHIKEY QSLMDECMDJKHMQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7045029

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 14.690 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$SPLASH: splash10-0fvi-0290000000-f2491522fc7ac89f7e34
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  110 16 16
  117 255 255
  118 20 20
  119 20 20
  129 20 20
  131 55 55
  141 20 20
  143 39 39
  155 12 12
  165 67 67
  169 145 145
  170 16 16
  179 24 24
  191 71 71
  193 20 20
  205 86 86
  206 16 16
  219 215 215
  220 27 27
  247 98 98
  248 16 16
  250 819 819
  251 133 133
  278 999 999
  279 188 188
  280 20 20
//