ACCESSION: MSBNK-Waters-WA002082
RECORD_TITLE: Maprotiline; 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$NAME: Maprotiline
CH$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 75 V

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

PK$SPLASH: splash10-00mo-0930000000-6d7100ae31db7d486c01
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  105 39 39
  110 16 16
  115 102 102
  117 376 376
  118 31 31
  119 12 12
  128 59 59
  129 63 63
  131 121 121
  132 20 20
  141 180 180
  142 16 16
  143 43 43
  154 20 20
  155 27 27
  165 259 259
  166 35 35
  167 16 16
  169 63 63
  178 533 533
  179 165 165
  180 20 20
  189 16 16
  190 39 39
  191 999 999
  192 141 141
  193 102 102
  194 12 12
  202 20 20
  203 102 102
  204 251 251
  205 145 145
  206 24 24
  217 35 35
  218 24 24
  219 501 501
  220 78 78
  250 121 121
  251 16 16
  278 47 47
//