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MassBank Record: WA000709

Pethidine; LC-ESI-Q; MS; POS; 90 V

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

ACCESSION: WA000709
RECORD_TITLE: Pethidine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Pethidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H21NO2
CH$EXACT_MASS: 247.15723
CH$SMILES: CCOC(=O)C(C2)(CCN(C)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
CH$LINK: CAS 57-42-1
CH$LINK: INCHIKEY XADCESSVHJOZHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023253

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 12.500 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 90 V

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

PK$SPLASH: splash10-0v4i-0910000000-0c7d5b9cfb2b14e0af5e
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  103 999 999
  104 39 39
  105 223 223
  106 12 12
  107 8 8
  108 8 8
  112 8 8
  115 357 357
  116 231 231
  117 227 227
  118 102 102
  119 8 8
  126 8 8
  128 133 133
  129 208 208
  130 39 39
  131 345 345
  132 51 51
  133 16 16
  140 8 8
  141 8 8
  143 20 20
  144 125 125
  145 31 31
  146 12 12
  155 8 8
  156 8 8
  157 8 8
  158 27 27
  159 27 27
  160 8 8
  168 12 12
  172 31 31
  174 423 423
  175 47 47
  176 47 47
  184 20 20
  202 12 12
  220 215 215
  221 20 20
  248 431 431
  249 55 55
  289 8 8
//

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