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MassBank Record: MSBNK-Waters-WA002077

Desmethylmaprotiline; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Waters-WA002077
RECORD_TITLE: Desmethylmaprotiline; 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$NAME: Desmethylmaprotiline
CH$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 60 V

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

PK$SPLASH: splash10-014i-0930000000-7a6635e512d72711affd
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  105 71 71
  115 35 35
  117 999 999
  118 74 74
  119 39 39
  128 20 20
  129 118 118
  131 302 302
  132 43 43
  141 278 278
  142 16 16
  143 133 133
  144 12 12
  155 55 55
  165 247 247
  166 27 27
  167 16 16
  169 353 353
  170 35 35
  178 94 94
  179 74 74
  181 27 27
  190 12 12
  191 337 337
  192 47 47
  193 35 35
  203 39 39
  204 74 74
  205 298 298
  206 47 47
  217 12 12
  218 16 16
  219 521 521
  220 55 55
  236 20 20
  247 59 59
  264 125 125
  265 12 12
//

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