ACCESSION: MSBNK-RIKEN_NPDepo-NGA02520
RECORD_TITLE: Oxymatrine; 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: Alkaloids derived from lysine, Quinolizidine alkaloids, Sophora alkaloid

CH$NAME: Oxymatrine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₅H₂₄N₂O₂
CH$EXACT_MASS: 264.3707
CH$SMILES: O=C1CCC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34
CH$IUPAC: InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
CH$LINK: CAS 16837-52-8
CH$LINK: CHEMSPIDER 102808
CH$LINK: INCHIKEY XVPBINOPNYFXID-LHDUFFHYSA-N
CH$LINK: COMPTOX DTXSID40937482
CH$LINK: PUBCHEM CID:114850

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$SPLASH: splash10-014i-0490000000-357d47404470c18df1cd
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
  97.6 2.45 2
  97.7 4.08 4
  97.8 6.17 6
  97.9 8.32 8
  98.0 9.99 9
  98.1 10.73 10
  98.2 10.4 10
  98.3 9.03 9
  98.4 6.67 6
  98.5 3.72 3
  135.5 2.74 2
  135.6 4.28 4
  135.7 6.84 6
  135.8 10.96 10
  135.9 15.92 15
  136.0 19.75 19
  136.1 21.04 21
  136.2 20.05 20
  136.3 17.71 17
  136.4 14.28 14
  136.5 9.98 9
  136.8 5.92 5
  136.9 8.58 8
  137.0 11.01 10
  137.1 12.25 12
  137.2 12.14 12
  137.3 10.89 10
  137.4 8.73 8
  137.5 5.93 5
  137.6 3.08 3
  147.4 1.52 1
  147.5 3.34 3
  147.6 6.06 6
  147.7 10.04 10
  147.8 15.17 15
  147.9 20.55 20
  148.0 24.96 24
  148.1 27.53 27
  148.2 27.8 27
  148.3 25.35 25
  148.4 19.99 19
  148.5 12.61 12
  148.6 5.6 5
  149.6 3.38 3
  149.7 5.35 5
  149.8 8.11 8
  149.9 11.11 11
  150.0 13.73 13
  150.1 15.46 15
  150.2 15.88 15
  150.3 14.61 14
  150.4 11.52 11
  150.5 7.22 7
  150.6 3.15 3
  161.8 4.12 4
  161.9 5.55 5
  162.0 6.71 6
  162.1 7.46 7
  162.2 7.79 7
  162.3 7.48 7
  162.4 6.1 6
  162.5 3.78 3
  175.6 2.37 2
  175.7 3.64 3
  175.8 5.31 5
  175.9 7.13 7
  176.0 8.69 8
  176.1 9.71 9
  176.2 10.1 10
  176.3 9.6 9
  176.4 7.95 7
  176.5 5.5 5
  204.4 2.4 2
  204.5 3.98 3
  204.6 6.07 6
  204.7 9.29 9
  204.8 16.06 16
  204.9 27.39 27
  205.0 39.66 39
  205.1 47.48 47
  205.2 49.01 48
  205.3 45.56 45
  205.4 37.67 37
  205.5 25.61 25
  205.6 12.74 12
  205.7 4.21 4
  205.9 3.67 3
  206.0 5.91 5
  206.1 7.28 7
  206.2 7.86 7
  206.3 7.78 7
  206.4 6.83 6
  206.5 4.94 4
  206.6 2.64 2
  218.8 2.26 2
  218.9 3.41 3
  219.0 4.63 4
  219.1 5.54 5
  219.2 5.81 5
  219.3 5.32 5
  219.4 4.17 4
  246.4 1.0 0
  246.5 2.47 2
  246.6 5.09 5
  246.7 9.66 9
  246.8 16.7 16
  246.9 25.13 25
  247.0 32.46 32
  247.1 36.73 36
  247.2 37.86 37
  247.3 36.63 36
  247.4 32.65 32
  247.5 24.9 24
  247.6 14.62 14
  247.7 5.75 5
  264.3 0.87 0
  264.4 2.37 2
  264.5 6.03 6
  264.6 12.12 12
  264.7 21.15 21
  264.8 34.67 34
  264.9 53.33 53
  265.0 74.01 73
  265.1 90.83 90
  265.2 99.74 99
  265.3 100.0 99
  265.4 90.64 90
  265.5 69.75 69
  265.6 40.45 40
  265.7 13.35 13
  265.8 0.0 0
//