MassBank Record: NGA03083

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O-DeMethylfoliosidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: NGA03083
RECORD_TITLE: O-DeMethylfoliosidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: BY-CC
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: 293.3224000000000160071067512035369873046875
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$SPLASH: splash10-0006-0090000000-25a6881c144144711dc9
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  275.4 1.22 1
  275.5 2.93 2
  275.6 6.0 5
  275.7 10.94 10
  275.8 18.0 17
  275.9 26.57 26
  276.0 34.79 34
  276.1 40.33 40
  276.2 41.65 41
  276.3 38.09 38
  276.4 29.58 29
  276.5 17.74 17
  276.6 6.56 6
  276.7 0.31 0
  293.3 0.69 0
  293.4 1.94 1
  293.5 5.2 5
  293.6 12.31 12
  293.7 24.69 24
  293.8 41.98 41
  293.9 62.05 61
  294.0 81.4 81
  294.1 95.64 95
  294.2 100.0 99
  294.3 90.86 90
  294.4 68.42 68
  294.5 39.11 39
  294.6 13.52 13
  294.7 0.35 0
//