MassBank Record: NGA01225



 Foliosidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01225
RECORD_TITLE: Foliosidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids, Foliosidine alkaloids

CH$NAME: Foliosidine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C16H21NO5 CH$EXACT_MASS: 307.34947 CH$SMILES: COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12 CH$IUPAC: InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3 CH$LINK: CAS 2520-38-9 CH$LINK: PUBCHEM CID:2114844 17346697 CH$LINK: INCHIKEY IUPYLWAXGAJZQC-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4i-0190000000-ea45d0bd071fdb866727 PK$NUM_PEAK: 98 PK$PEAK: m/z int. rel.int. 173.7 4.85 4 173.8 7.54 7 173.9 9.97 9 174.0 11.26 11 174.1 11.47 11 174.2 10.94 10 174.3 9.57 9 174.4 7.08 7 174.5 3.94 3 187.5 1.81 1 187.6 3.03 3 187.7 5.53 5 187.8 9.18 9 187.9 12.95 12 188.0 15.72 15 188.1 17.1 17 188.2 16.99 16 188.3 14.97 14 188.4 10.87 10 188.5 5.77 5 188.6 1.7 1 189.7 2.81 2 189.8 4.58 4 189.9 6.62 6 190.0 8.14 8 190.1 8.66 8 190.2 8.16 8 190.3 6.81 6 190.7 4.1 4 190.8 5.93 5 190.9 8.11 8 191.0 9.97 9 191.1 10.93 10 191.2 10.73 10 191.3 9.28 9 191.4 6.63 6 191.5 3.51 3 203.6 3.44 3 203.7 5.47 5 203.8 8.64 8 203.9 11.79 11 204.0 13.86 13 204.1 14.82 14 204.2 15.1 15 204.3 14.84 14 204.4 14.28 14 204.5 14.4 14 204.6 16.87 16 204.7 24.58 24 204.8 40.79 40 204.9 64.46 64 205.0 87.32 87 205.1 100.0 99 205.2 99.9 99 205.3 89.51 89 205.4 70.71 70 205.5 47.1 47 205.7 23.85 23 205.8 34.23 34 205.9 50.45 50 206.0 63.23 63 206.1 68.95 68 206.2 67.72 67 206.3 59.34 59 206.4 43.48 43 206.5 23.52 23 206.6 6.69 6 206.7 0.0 0 217.6 2.19 2 217.7 3.82 3 217.8 6.38 6 217.9 9.35 9 218.0 11.69 11 218.1 12.61 12 218.2 12.03 12 218.3 10.2 10 218.4 7.36 7 218.5 4.06 4 229.7 2.62 2 229.8 3.82 3 229.9 5.05 5 230.0 6.1 6 230.1 6.73 6 230.2 6.64 6 230.3 5.58 5 230.4 3.62 3 289.5 2.15 2 289.6 3.51 3 289.7 6.04 6 289.8 10.51 10 289.9 16.9 16 290.0 23.8 23 290.1 28.83 28 290.2 30.07 30 290.3 26.97 26 290.4 20.35 20 290.5 12.01 11 290.6 4.54 4 //