MassBank Record: NGA01377



 Foliosidine acetonide; 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: NGA01377
RECORD_TITLE: Foliosidine acetonide; 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$NAME: Foliosidine acetonide CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C19H25NO5 CH$EXACT_MASS: 347.41480000000007 CH$SMILES: COc1cc(=O)n(C)c2c(OCC3OC(C)(C)OC3(C)C)cccc12 CH$IUPAC: InChI=1S/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3 CH$LINK: INCHIKEY HFXBOPGUQAUMHA-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4l-0090000000-a0b4c480d2764c980b10 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 173.7 2.91 2 173.8 4.44 4 173.9 6.08 6 174.0 7.29 7 174.1 7.72 7 174.2 7.29 7 174.3 5.99 5 174.4 3.99 3 187.7 2.86 2 187.8 4.49 4 187.9 6.35 6 188.0 7.82 7 188.1 8.44 8 188.2 8.14 8 188.3 7.0 6 188.4 5.1 5 188.5 2.85 2 203.6 2.78 2 203.7 4.74 4 203.8 7.84 7 203.9 11.23 11 204.0 13.81 13 204.1 15.08 15 204.2 15.11 15 204.3 14.24 14 204.4 13.37 13 204.5 13.64 13 204.6 16.16 16 204.7 23.55 23 204.8 39.51 39 204.9 63.33 63 205.0 86.71 86 205.1 100.0 99 205.2 99.69 99 205.3 87.23 87 205.4 65.04 64 205.5 38.58 38 205.6 17.9 17 205.8 17.25 17 205.9 28.23 28 206.0 36.61 36 206.1 39.89 39 206.2 39.03 38 206.3 34.88 34 206.4 27.13 27 206.5 16.44 16 206.6 6.14 6 206.7 0.21 0 217.6 1.63 1 217.7 2.93 2 217.8 5.24 5 217.9 8.04 8 218.0 10.21 10 218.1 10.95 10 218.2 10.26 10 218.3 8.48 8 218.4 5.93 5 218.5 3.14 3 229.6 2.16 2 229.7 3.44 3 229.8 5.35 5 229.9 7.57 7 230.0 9.53 9 230.1 10.75 10 230.2 10.83 10 230.3 9.47 9 230.4 6.77 6 230.5 3.55 3 289.3 0.98 0 289.4 2.44 2 289.5 4.92 4 289.6 9.4 9 289.7 18.14 18 289.8 33.21 33 289.9 53.6 53 290.0 74.38 74 290.1 89.23 89 290.2 93.53 93 290.3 85.01 84 290.4 64.26 64 290.5 36.82 36 290.6 12.58 12 290.7 0.21 0 //