ACCESSION: MSBNK-RIKEN_NPDepo-NGA02507
RECORD_TITLE: Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-03di-0090000000-ac75497ac9ceadd9b10a
PK$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
//