ACCESSION: MSBNK-RIKEN_NPDepo-NGA03082
RECORD_TITLE: O-DeMethylfoliosidine; 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: 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$SPLASH: splash10-004i-0390000000-ec36d3e24bdee6c970aa
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  161.5 1.82 1
  161.6 3.32 3
  161.7 5.51 5
  161.8 7.94 7
  161.9 10.07 10
  162.0 11.58 11
  162.1 12.33 12
  162.2 12.08 12
  162.3 10.45 10
  162.4 7.38 7
  162.5 3.73 3
  190.5 4.08 4
  190.6 5.94 5
  190.7 9.1 9
  190.8 13.27 13
  190.9 17.6 17
  191.0 20.96 20
  191.1 22.54 22
  191.2 22.15 22
  191.3 19.93 19
  191.4 16.15 16
  191.5 11.76 11
  191.7 9.01 9
  191.8 12.57 12
  191.9 17.81 17
  192.0 22.71 22
  192.1 25.74 25
  192.2 25.79 25
  192.3 22.25 22
  192.4 15.63 15
  192.5 7.99 7
  192.6 2.07 2
  215.6 1.84 1
  215.7 2.97 2
  215.8 4.5 4
  215.9 6.08 6
  216.0 7.25 7
  216.1 7.81 7
  216.2 7.71 7
  216.3 6.79 6
  216.4 4.94 4
  216.5 2.59 2
  275.3 0.41 0
  275.4 2.25 2
  275.5 6.28 6
  275.6 13.3 13
  275.7 24.63 24
  275.8 41.44 41
  275.9 62.36 62
  276.0 82.47 82
  276.1 96.08 95
  276.2 100.0 99
  276.3 92.97 92
  276.4 74.28 74
  276.5 46.77 46
  276.6 19.35 19
  276.7 1.94 1
  293.4 1.18 1
  293.5 3.85 3
  293.6 8.76 8
  293.7 16.18 16
  293.8 26.11 26
  293.9 37.86 37
  294.0 49.69 49
  294.1 59.02 58
  294.2 62.82 62
  294.3 58.19 58
  294.4 44.39 44
  294.5 25.37 25
  294.6 8.58 8
  294.7 0.21 0
//