MassBank Record: MSBNK-RIKEN_NPDepo-NGA03083
ACCESSION: MSBNK-RIKEN_NPDepo-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: 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$SPLASH: splash10-0006-0090000000-25a6881c144144711dc9
PK$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
//