ACCESSION: MSBNK-Waters-WA001692
RECORD_TITLE: Dextromoramide; 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$NAME: Dextromoramide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₃₂N₂O₂
CH$EXACT_MASS: 392.24638
CH$SMILES: C(c(c4)cccc4)(c(c3)cccc3)(C(=O)N(C2)CCC2)C([H])(C)CN(C1)CCOC1
CH$IUPAC: InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m1/s1
CH$LINK: CAS 357-56-2
CH$LINK: INCHIKEY INUNXTSAACVKJS-OAQYLSRUSA-N
CH$LINK: COMPTOX DTXSID8022909

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 15.070 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$SPLASH: splash10-000i-0590000000-800f39f227b154d67205
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  100 31 31
  104 12 12
  105 43 43
  118 8 8
  128 8 8
  129 59 59
  130 8 8
  131 12 12
  132 12 12
  152 39 39
  160 110 110
  161 12 12
  165 39 39
  166 16 16
  167 243 243
  168 31 31
  178 12 12
  179 8 8
  182 12 12
  194 12 12
  214 8 8
  236 999 999
  237 184 184
  238 16 16
  262 16 16
  264 24 24
  266 12 12
  306 59 59
  307 12 12
//