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MassBank Record: WA001513

Nalorphine; LC-ESI-Q; MS; POS; 15 V, 45 V

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

ACCESSION: WA001513
RECORD_TITLE: Nalorphine; LC-ESI-Q; MS; POS; 15 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$NAME: Nalorphine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H21NO3
CH$EXACT_MASS: 311.15214
CH$SMILES: C=CCN(C5)C(C3)C([H])(C=4)C(C5)(C(C(O)C4)1)c(c23)c(c(O)cc2)O1
CH$IUPAC: InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
CH$LINK: CAS 62-67-9
CH$LINK: INCHIKEY UIQMVEYFGZJHCZ-SSTWWWIQSA-N
CH$LINK: COMPTOX DTXSID3023348

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 7.000 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 15 V, 45 V

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

PK$SPLASH: splash10-03di-0009000000-e906c24ea00358fa7a3d
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  312 999 999
  313 176 176
  314 16 16
  330 16 16
  350 8 8
//

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