MassBank Record: NGA00189



 Felamidin; 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: NGA00189
RECORD_TITLE: Felamidin; 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, Coumarins

CH$NAME: Felamidin CH$COMPOUND_CLASS: Benzopyranoids CH$FORMULA: C21H18O5 CH$EXACT_MASS: 350.37461 CH$SMILES: CC(C)(OC(=O)c1ccccc1)C1Cc2cc3ccc(=O)oc3cc2O1 CH$IUPAC: InChI=1S/C21H18O5/c1-21(2,26-20(23)13-6-4-3-5-7-13)18-11-15-10-14-8-9-19(22)25-16(14)12-17(15)24-18/h3-10,12,18H,11H2,1-2H3 CH$LINK: CAS 17559-85-2 CH$LINK: PUBCHEM CID:895427 CH$LINK: INCHIKEY VIPXLQMQEIDXMH-UHFFFAOYSA-N
AC$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$SPLASH: splash10-004i-0190000000-6d64a41d6949f2bc7e0b PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 104.5 2.62 2 104.6 3.79 3 104.7 6.23 6 104.8 9.73 9 104.9 12.87 12 105.0 14.26 14 105.1 13.83 13 105.2 12.38 12 105.3 10.19 10 105.4 7.01 7 105.5 3.33 3 210.6 1.63 1 210.7 2.89 2 210.8 5.03 5 210.9 7.52 7 211.0 9.33 9 211.1 9.86 9 211.2 9.24 9 211.3 7.73 7 211.4 5.41 5 211.5 2.73 2 212.6 1.96 1 212.7 3.39 3 212.8 5.58 5 212.9 7.89 7 213.0 9.49 9 213.1 10.14 10 213.2 10.04 10 213.3 9.11 9 213.4 7.18 7 213.7 3.96 3 213.8 6.13 6 213.9 8.92 8 214.0 11.14 11 214.1 12.08 12 214.2 11.53 11 214.3 9.38 9 214.4 5.89 5 214.5 2.24 2 228.2 1.21 1 228.3 3.39 3 228.4 6.73 6 228.5 9.92 9 228.6 13.37 13 228.7 21.48 21 228.8 39.27 39 228.9 65.08 65 229.0 88.84 88 229.1 100.0 99 229.2 95.66 95 229.3 79.5 79 229.4 56.27 56 229.5 30.9 30 229.6 10.04 10 229.7 0.0 0 //