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MassBank Record: NGA01370

Galantamine; 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: NGA01370
RECORD_TITLE: Galantamine; 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, Benzazepines

CH$NAME: Galantamine
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C17H21NO3
CH$EXACT_MASS: 287.3618
CH$SMILES: COc1ccc2c3c1OC1CC(O)C=C[C@@]31CCN(C)C2
CH$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$LINK: INCHIKEY ASUTZQLVASHGKV-AJUCZRQESA-N
CH$LINK: PUBCHEM CID:16757785

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$SPLASH: splash10-000i-0090000000-4b06a4441bba29cae9cd
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  57.7 1.87 1
  57.8 3.15 3
  57.9 4.44 4
  58.0 5.33 5
  58.1 5.56 5
  58.2 5.17 5
  58.3 4.29 4
  58.4 3.02 3
  212.5 2.14 2
  212.6 3.46 3
  212.7 5.89 5
  212.8 9.89 9
  212.9 14.76 14
  213.0 18.89 18
  213.1 21.04 21
  213.2 20.95 20
  213.3 18.69 18
  213.4 14.12 14
  213.5 8.02 8
  213.6 2.51 2
  224.6 1.8 1
  224.7 3.11 3
  224.8 5.29 5
  224.9 7.96 7
  225.0 10.12 10
  225.1 11.0 10
  225.2 10.62 10
  225.3 9.26 9
  225.4 6.99 6
  225.5 4.05 4
  230.5 2.09 2
  230.6 3.79 3
  230.7 6.48 6
  230.8 10.52 10
  230.9 15.45 15
  231.0 19.74 19
  231.1 21.83 21
  231.2 21.26 21
  231.3 18.4 18
  231.4 13.62 13
  231.5 7.76 7
  231.6 2.58 2
  269.6 1.71 1
  269.7 3.4 3
  269.8 6.13 6
  269.9 9.49 9
  270.0 12.54 12
  270.1 14.51 14
  270.2 15.11 15
  270.3 14.15 14
  270.4 11.34 11
  270.5 7.0 6
  270.6 2.64 2
  287.3 0.92 0
  287.4 2.88 2
  287.5 6.12 6
  287.6 10.9 10
  287.7 19.03 19
  287.8 33.43 33
  287.9 54.63 54
  288.0 77.6 77
  288.1 94.33 94
  288.2 100.0 99
  288.3 94.65 94
  288.4 79.29 79
  288.5 55.1 55
  288.6 27.62 27
  288.7 6.45 6
  288.8 0.0 0
//

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