ACCESSION: MSBNK-Waters-WA001512
RECORD_TITLE: Nalorphine; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-03di-0459000000-6ca9126447309f0d3293
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  108 8 8
  121 8 8
  123 12 12
  132 12 12
  144 8 8
  145 12 12
  147 24 24
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  150 43 43
  153 8 8
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//