ACCESSION: MSBNK-RIKEN_NPDepo-NGA02505
RECORD_TITLE: Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids

CH$NAME: Galanthamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₇H₂₁NO₃
CH$EXACT_MASS: 287.3618
CH$SMILES: COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
CH$IUPAC: InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
CH$LINK: CAS 357-70-0
CH$LINK: CHEMSPIDER 9272
CH$LINK: INCHIKEY ASUTZQLVASHGKV-JDFRZJQESA-N
CH$LINK: COMPTOX DTXSID2045606
CH$LINK: PUBCHEM CID:9651

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0090000000-1bc8f7a38646924d7e2b
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  287.3 0.39 0
  287.4 1.45 1
  287.5 4.38 4
  287.6 10.08 10
  287.7 19.23 19
  287.8 32.82 32
  287.9 51.53 51
  288.0 73.02 72
  288.1 91.28 91
  288.2 100.0 99
  288.3 95.7 95
  288.4 78.07 77
  288.5 50.81 50
  288.6 22.72 22
  288.7 3.51 3
//