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MassBank Record: MSBNK-Waters-WA001695

Dextromoramide; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: MSBNK-Waters-WA001695
RECORD_TITLE: Dextromoramide; 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$NAME: Dextromoramide
CH$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 45 V

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

PK$SPLASH: splash10-0a4i-0009000000-74ce42bc32e7f5041a5b
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  100 8 8
  306 999 999
  307 227 227
  308 27 27
  393 94 94
  394 27 27
//

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