MassBank Record: NGA02921



 osajin; 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: NGA02921
RECORD_TITLE: osajin; 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, Pyrans

CH$NAME: osajin CH$COMPOUND_CLASS: Flavonoids CH$FORMULA: C25H24O5 CH$EXACT_MASS: 404.46703 CH$SMILES: CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2 CH$IUPAC: InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3 CH$LINK: CAS 482-53-1 CH$LINK: PUBCHEM CID:85874 CH$LINK: INCHIKEY DCTLJGWMHPGCOS-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0002-0019000000-e40f492b6ec67b78ecac PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 212.4 1.54 1 212.5 2.61 2 212.6 4.17 4 212.7 6.42 6 212.8 9.41 9 212.9 12.79 12 213.0 15.77 15 213.1 17.38 17 213.2 16.72 16 213.3 13.41 13 213.4 8.23 8 213.5 3.14 3 330.6 2.17 2 330.7 3.5 3 330.8 5.73 5 330.9 8.55 8 331.0 10.83 10 331.1 11.53 11 331.2 10.48 10 331.3 8.18 8 331.4 5.24 5 331.5 2.39 2 348.2 0.65 0 348.3 1.91 1 348.4 5.14 5 348.5 10.88 10 348.6 19.48 19 348.7 31.69 31 348.8 48.46 48 348.9 68.85 68 349.0 88.22 88 349.1 100.0 99 349.2 99.59 99 349.3 85.85 85 349.4 61.08 61 349.5 31.99 31 349.6 8.48 8 349.7 0.0 0 //