ACCESSION: MSBNK-Waters-WA001701
RECORD_TITLE: Dextromethorphan; 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$NAME: Dextromethorphan
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₅NO
CH$EXACT_MASS: 271.19361
CH$SMILES: COc(c4)cc(c(c4)1)C(C3)(C2)C([H])(CCC3)C(N(C)C2)C1
CH$IUPAC: InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
CH$LINK: CAS 125-71-3
CH$LINK: INCHIKEY MKXZASYAUGDDCJ-NJAFHUGGSA-N
CH$LINK: COMPTOX DTXSID3022908

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 13.660 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$SPLASH: splash10-00di-0090000000-b586498fa18c9573c4ab
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  121 8 8
  147 31 31
  159 12 12
  173 8 8
  213 74 74
  215 259 259
  216 31 31
  241 8 8
  270 12 12
  272 999 999
  273 439 439
  274 35 35
  286 8 8
//