MassBank Record: NGA01255



 Fraxin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01255
RECORD_TITLE: Fraxin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Coumarins

CH$NAME: Fraxin CH$COMPOUND_CLASS: Benzopyranoids CH$FORMULA: C16H18O10 CH$EXACT_MASS: 370.31586000000004 CH$SMILES: COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O CH$IUPAC: InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1 CH$LINK: CAS 524-30-1 CH$LINK: PUBCHEM CID:4437971 4444766 CH$LINK: INCHIKEY CRSFLLTWRCYNNX-QBNNUVSCSA-N
AC$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+Na]+
PK$SPLASH: splash10-0006-0019000000-1cd24d0e27d8d8fc2e8f PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 230.5 2.39 2 230.6 4.31 4 230.7 8.59 8 230.8 13.93 13 230.9 16.98 16 231.0 15.25 15 231.1 9.92 9 231.2 4.71 4 392.1 1.69 1 392.2 2.65 2 392.3 7.05 7 392.4 15.46 15 392.5 25.71 25 392.6 36.73 36 392.7 49.99 49 392.8 66.64 66 392.9 84.3 84 393.0 97.34 97 393.1 98.91 98 393.2 84.12 84 393.3 55.58 55 393.4 25.22 25 393.5 4.99 4 //