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MassBank Record: NGA02506

Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

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

ACCESSION: NGA02506
RECORD_TITLE: Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: BY-CC
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$SPLASH: splash10-000i-0090000000-59af3e32ec8e512035b2
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  212.4 1.22 1
  212.5 2.5 2
  212.6 4.37 4
  212.7 7.01 7
  212.8 10.64 10
  212.9 14.88 14
  213.0 18.64 18
  213.1 20.91 20
  213.2 21.28 21
  213.3 19.36 19
  213.4 14.77 14
  213.5 8.37 8
  213.6 2.61 2
  224.6 1.78 1
  224.7 3.02 3
  224.8 5.03 5
  224.9 7.65 7
  225.0 9.98 9
  225.1 11.1 11
  225.2 10.84 10
  225.3 9.5 9
  225.4 7.21 7
  225.5 4.2 4
  225.6 1.41 1
  230.5 1.98 1
  230.6 3.76 3
  230.7 6.47 6
  230.8 10.38 10
  230.9 15.07 15
  231.0 19.3 19
  231.1 21.83 21
  231.2 22.11 22
  231.3 19.9 19
  231.4 15.14 15
  231.5 8.73 8
  231.6 2.91 2
  269.6 1.62 1
  269.7 2.88 2
  269.8 4.97 4
  269.9 7.99 7
  270.0 11.36 11
  270.1 13.94 13
  270.2 14.92 14
  270.3 14.18 14
  270.4 11.81 11
  270.5 8.03 8
  270.6 3.79 3
  287.3 0.31 0
  287.4 1.57 1
  287.5 4.46 4
  287.6 9.84 9
  287.7 18.68 18
  287.8 32.1 32
  287.9 50.62 50
  288.0 72.0 71
  288.1 90.49 90
  288.2 100.0 99
  288.3 97.25 97
  288.4 81.7 81
  288.5 55.78 55
  288.6 26.96 26
  288.7 5.5 5
  288.8 0.0 0
//

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