MassBank Record: NGA02507



 Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA02507
RECORD_TITLE: Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, 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: 287.36181999999997 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: PUBCHEM CID:9272 CH$LINK: INCHIKEY ASUTZQLVASHGKV-JDFRZJQESA-N
AC$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$SPLASH: splash10-03di-0090000000-ac75497ac9ceadd9b10a PK$NUM_PEAK: 117 PK$PEAK: m/z int. rel.int. 57.5 2.09 2 57.6 3.61 3 57.7 5.77 5 57.8 8.63 8 57.9 11.62 11 58.0 13.88 13 58.1 14.94 14 58.2 14.71 14 58.3 12.93 12 58.4 9.44 9 58.5 5.06 5 58.6 1.42 1 196.6 1.54 1 196.7 2.85 2 196.8 4.6 4 196.9 6.59 6 197.0 8.34 8 197.1 9.24 9 197.2 9.06 9 197.3 7.98 7 197.4 6.26 6 197.8 4.18 4 197.9 6.6 6 198.0 8.62 8 198.1 9.56 9 198.2 9.41 9 198.3 8.25 8 198.4 6.21 6 202.8 2.6 2 202.9 4.1 4 203.0 5.55 5 203.1 6.5 6 203.2 6.75 6 203.3 6.19 6 203.4 4.75 4 203.5 2.74 2 208.6 2.51 2 208.7 4.03 4 208.8 6.19 6 208.9 8.8 8 209.0 11.35 11 209.1 13.2 13 209.2 13.65 13 209.3 12.22 12 209.4 9.1 9 209.5 5.31 5 209.6 2.22 2 212.3 1.16 1 212.4 3.67 3 212.5 8.32 8 212.6 15.69 15 212.7 27.32 27 212.8 44.96 44 212.9 67.28 67 213.0 88.07 87 213.1 100.0 99 213.2 99.5 99 213.3 86.51 86 213.4 62.84 62 213.5 34.1 34 213.6 10.01 9 213.7 0.03 0 224.4 1.24 1 224.5 2.75 2 224.6 5.49 5 224.7 9.61 9 224.8 14.93 14 224.9 20.7 20 225.0 25.73 25 225.1 28.84 28 225.2 29.15 29 225.3 25.94 25 225.4 19.15 19 225.5 10.51 10 225.6 3.24 3 230.3 0.5 0 230.4 2.09 2 230.5 5.13 5 230.6 9.47 9 230.7 15.57 15 230.8 24.51 24 230.9 35.74 35 231.0 45.94 45 231.1 51.63 51 231.2 51.87 51 231.3 47.04 46 231.4 36.81 36 231.5 22.26 22 231.6 8.15 8 231.7 0.45 0 269.5 1.56 1 269.6 3.19 3 269.7 6.21 6 269.8 10.96 10 269.9 17.12 17 270.0 23.4 23 270.1 27.93 27 270.2 29.38 29 270.3 27.37 27 270.4 22.01 21 270.5 14.12 14 270.6 6.0 5 270.7 0.57 0 287.4 0.91 0 287.5 2.85 2 287.6 7.34 7 287.7 15.02 15 287.8 25.62 25 287.9 38.18 38 288.0 50.84 50 288.1 60.72 60 288.2 65.24 65 288.3 62.85 62 288.4 52.57 52 288.5 35.29 35 288.6 16.18 16 288.7 2.52 2 //