ACCESSION: MSBNK-Waters-WA002083
RECORD_TITLE: Maprotiline; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-014i-0980000000-97ded6f30c6e87c33e0c
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  105 39 39
  110 31 31
  115 20 20
  117 627 627
  118 47 47
  119 27 27
  128 12 12
  129 71 71
  131 184 184
  132 24 24
  141 176 176
  142 12 12
  143 94 94
  155 39 39
  165 231 231
  166 31 31
  167 16 16
  169 235 235
  170 24 24
  178 243 243
  179 114 114
  181 16 16
  191 548 548
  192 74 74
  193 137 137
  194 16 16
  203 31 31
  204 67 67
  205 223 223
  206 35 35
  217 16 16
  218 12 12
  219 999 999
  220 157 157
  221 20 20
  247 55 55
  248 12 12
  250 866 866
  251 145 145
  278 259 259
  279 47 47
//