ACCESSION: MSBNK-RIKEN_NPDepo-NGA02508
RECORD_TITLE: Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-03di-1690000000-76a6d009a186827ed171
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
  54.6 2.15 2
  54.7 3.38 3
  54.8 4.6 4
  54.9 5.55 5
  55.0 6.17 6
  55.1 6.48 6
  55.2 6.26 6
  55.3 5.15 5
  55.4 3.2 3
  57.6 1.98 1
  57.7 3.64 3
  57.8 5.9 5
  57.9 8.05 8
  58.0 9.32 9
  58.1 9.54 9
  58.2 9.03 9
  58.3 7.83 7
  58.4 5.7 5
  58.5 2.96 2
  174.7 2.47 2
  174.8 4.24 4
  174.9 6.47 6
  175.0 8.35 8
  175.1 9.25 9
  175.2 9.15 9
  175.3 8.15 8
  175.4 6.19 6
  175.5 3.53 3
  180.6 1.99 1
  180.7 3.35 3
  180.8 4.98 4
  180.9 6.68 6
  181.0 8.11 8
  181.1 8.88 8
  181.2 8.88 8
  181.3 8.11 8
  181.4 6.59 6
  181.8 5.58 5
  181.9 8.02 8
  182.0 9.77 9
  182.1 10.49 10
  182.2 10.3 10
  182.3 9.1 9
  182.4 6.79 6
  182.5 3.98 3
  184.7 2.16 2
  184.8 3.64 3
  184.9 5.13 5
  185.0 6.26 6
  185.1 6.9 6
  185.2 6.96 6
  185.3 6.35 6
  185.4 5.01 5
  185.5 3.18 3
  196.7 2.88 2
  196.8 4.3 4
  196.9 6.01 6
  197.0 7.43 7
  197.1 8.1 8
  197.2 8.13 8
  197.3 8.08 8
  197.4 8.46 8
  197.5 9.86 9
  197.6 13.28 13
  197.7 19.92 19
  197.8 29.91 29
  197.9 41.22 41
  198.0 50.63 50
  198.1 55.72 55
  198.2 55.27 55
  198.3 48.15 48
  198.4 34.4 34
  198.5 17.85 17
  198.6 4.96 4
  202.8 3.13 3
  202.9 4.5 4
  203.0 5.83 5
  203.1 6.66 6
  203.2 6.77 6
  203.3 6.15 6
  203.4 4.76 4
  203.5 2.82 2
  208.8 2.56 2
  208.9 3.85 3
  209.0 5.13 5
  209.1 5.95 5
  209.2 6.03 6
  209.3 5.3 5
  209.4 3.92 3
  212.3 1.13 1
  212.4 3.28 3
  212.5 8.33 8
  212.6 16.81 16
  212.7 29.64 29
  212.8 48.0 47
  212.9 70.11 70
  213.0 89.66 89
  213.1 100.0 99
  213.2 99.17 99
  213.3 88.43 88
  213.4 68.58 68
  213.5 42.05 42
  213.6 16.53 16
  213.7 1.36 1
  224.7 2.36 2
  224.8 3.95 3
  224.9 5.87 5
  225.0 7.58 7
  225.1 8.39 8
  225.2 7.98 7
  225.3 6.55 6
  225.4 4.59 4
  225.5 2.56 2
  230.6 2.05 2
  230.7 3.09 3
  230.8 4.61 4
  230.9 6.68 6
  231.0 8.83 8
  231.1 10.44 10
  231.2 11.2 11
  231.3 10.84 10
  231.4 8.91 8
  231.5 5.55 5
  231.6 2.05 2
//