ACCESSION: MSBNK-RIKEN_NPDepo-NGA03081
RECORD_TITLE: O-DeMethylfoliosidine; 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: SubCategory_DNP: : Alkaloids derived from anthranilic acid, Quinoline alkaloids, Foliosidine alkaloids

CH$NAME: O-DeMethylfoliosidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₅H₁₉NO₅
CH$EXACT_MASS: 293.3224
CH$SMILES: Cn1c(O)cc(=O)c2cccc(OCC(O)C(C)(C)O)c21
CH$IUPAC: InChI=1S/C15H19NO5/c1-15(2,20)12(18)8-21-11-6-4-5-9-10(17)7-13(19)16(3)14(9)11/h4-7,12,18-20H,8H2,1-3H3
CH$LINK: INCHIKEY WJEIDEFTSKCCHI-UHFFFAOYSA-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$SPLASH: splash10-0006-0910000000-11fe962715d33490ca45
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
  58.6 1.74 1
  58.7 2.71 2
  58.8 4.08 4
  58.9 5.77 5
  59.0 7.21 7
  59.1 7.81 7
  59.2 7.45 7
  59.3 6.29 6
  59.4 4.42 4
  59.5 2.19 2
  135.4 1.13 1
  135.5 2.29 2
  135.6 4.01 4
  135.7 6.31 6
  135.8 9.05 9
  135.9 11.66 11
  136.0 13.43 13
  136.1 14.0 13
  136.2 13.34 13
  136.3 11.27 11
  136.4 7.81 7
  136.5 3.85 3
  136.6 0.84 0
  147.5 1.21 1
  147.6 2.79 2
  147.7 5.13 5
  147.8 7.73 7
  147.9 9.88 9
  148.0 11.12 11
  148.1 11.39 11
  148.2 10.64 10
  148.3 8.65 8
  148.4 5.57 5
  148.5 2.44 2
  149.4 1.86 1
  149.5 3.0 2
  149.6 5.01 5
  149.7 8.1 8
  149.8 11.95 11
  149.9 15.7 15
  150.0 18.39 18
  150.1 19.47 19
  150.2 18.76 18
  150.3 16.04 16
  150.4 11.31 11
  150.5 5.72 5
  150.6 1.36 1
  160.6 2.72 2
  160.7 3.95 3
  160.8 5.61 5
  160.9 7.28 7
  161.0 8.37 8
  161.1 8.69 8
  161.2 8.59 8
  161.3 8.54 8
  161.4 8.83 8
  161.5 10.05 10
  161.6 13.73 13
  161.7 21.45 21
  161.8 32.73 32
  161.9 44.56 44
  162.0 53.54 53
  162.1 57.97 57
  162.2 57.48 57
  162.3 51.29 51
  162.4 38.74 38
  162.5 22.17 22
  162.6 7.44 7
  162.7 0.03 0
  175.6 2.61 2
  175.7 3.71 3
  175.8 5.71 5
  175.9 8.49 8
  176.0 11.18 11
  176.1 12.74 12
  176.2 12.68 12
  176.3 11.12 11
  176.4 8.43 8
  176.5 5.26 5
  189.6 1.49 1
  189.7 2.37 2
  189.8 3.55 3
  189.9 4.9 4
  190.0 5.99 5
  190.1 6.46 6
  190.2 6.5 6
  190.3 6.75 6
  190.4 7.89 7
  190.5 10.72 10
  190.6 16.52 16
  190.7 26.46 26
  190.8 40.05 40
  190.9 54.51 54
  191.0 65.96 65
  191.1 71.76 71
  191.2 71.94 71
  191.3 67.17 67
  191.4 56.96 56
  191.5 43.19 43
  191.7 37.36 37
  191.8 53.27 53
  191.9 72.97 72
  192.0 88.76 88
  192.1 98.1 98
  192.2 100.0 99
  192.3 91.51 91
  192.4 70.38 70
  192.5 40.78 40
  192.6 13.66 13
  192.7 0.01 0
  201.7 2.27 2
  201.8 3.36 3
  201.9 4.49 4
  202.0 5.25 5
  202.1 5.42 5
  202.2 5.05 5
  202.3 4.15 4
  202.4 2.76 2
  215.6 2.06 2
  215.7 3.16 3
  215.8 4.59 4
  215.9 6.29 6
  216.0 8.03 8
  216.1 9.3 9
  216.2 9.49 9
  216.3 8.28 8
  216.4 5.89 5
  216.5 3.11 3
  275.4 0.92 0
  275.5 2.19 2
  275.6 4.64 4
  275.7 8.72 8
  275.8 14.28 14
  275.9 20.49 20
  276.0 25.93 25
  276.1 29.25 29
  276.2 29.77 29
  276.3 27.12 27
  276.4 21.0 20
  276.5 12.37 12
  276.6 4.24 4
  276.7 0.0 0
//