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MassBank Record: WA002938

Ethylmorphine; LC-ESI-Q; MS; POS; 30 V, 45 V

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

ACCESSION: WA002938
RECORD_TITLE: Ethylmorphine; LC-ESI-Q; MS; POS; 30 V, 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Ethylmorphine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H23NO3
CH$EXACT_MASS: 313.16779
CH$SMILES: CCOc(c5)c(O4)c(c(c5)1)C(C2)(C34)C([H])(C=CC(O)3)C(N(C)C2)C1
CH$IUPAC: InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
CH$LINK: CAS 76-58-4
CH$LINK: INCHIKEY OGDVEMNWJVYAJL-LEPYJNQMSA-N
CH$LINK: COMPTOX DTXSID1046760

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 10.940 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 30 V, 45 V

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

PK$SPLASH: splash10-03di-0009000000-497ffec424232366127f
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  312 24 24
  314 999 999
  315 172 172
  316 16 16
//

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