MassBank Record: NGA01253



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

ACCESSION: NGA01253
RECORD_TITLE: Fraxin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-001i-0091000000-a0d41e3b8a1517822bfc PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 230.0 2.22 2 230.1 3.25 3 230.2 5.99 5 230.3 10.9 10 230.4 19.67 19 230.5 33.22 33 230.6 47.74 47 230.7 57.18 57 230.8 62.73 62 230.9 72.89 72 231.0 88.01 87 231.1 92.64 92 231.2 73.45 73 231.3 38.88 38 231.4 11.28 11 231.5 0.0 0 392.1 3.6 3 392.2 4.79 4 392.3 5.64 5 392.4 5.8 5 392.5 5.59 5 392.6 5.36 5 392.7 5.08 5 392.8 4.76 4 392.9 4.63 4 393.0 4.56 4 393.1 4.14 4 393.2 3.44 3 393.3 3.21 3 393.4 3.95 3 393.5 5.09 5 393.6 5.61 5 393.7 4.97 4 //