MassBank Record: NGA01948



 Feselol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01948
RECORD_TITLE: Feselol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids

CH$NAME: Feselol CH$COMPOUND_CLASS: Benzopyranoids CH$FORMULA: C24H30O4 CH$EXACT_MASS: 382.5043 CH$SMILES: CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 CH$IUPAC: InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20-,21-,24+/m1/s1 CH$LINK: CAS 51020-36-1 CH$LINK: PUBCHEM CID:1400536 CH$LINK: INCHIKEY MCTDXPDDZLFJHR-XLRKYUMYSA-N
AC$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$SPLASH: splash10-0udi-0496000000-7ce664289f58ffd6fa6a PK$NUM_PEAK: 117 PK$PEAK: m/z int. rel.int. 106.7 2.01 2 106.8 3.22 3 106.9 4.58 4 107.0 5.6 5 107.1 5.88 5 107.2 5.44 5 107.3 4.55 4 107.4 3.36 3 108.6 1.0 0 108.7 2.53 2 108.8 4.72 4 108.9 6.95 6 109.0 8.46 8 109.1 9.08 9 109.2 9.25 9 109.3 9.08 9 109.4 7.89 7 109.5 5.27 5 109.6 2.17 2 132.7 2.37 2 132.8 3.61 3 132.9 4.99 4 133.0 6.09 6 133.1 6.62 6 133.2 6.63 6 133.3 6.18 6 133.4 5.05 5 133.5 3.19 3 146.8 2.99 2 146.9 4.17 4 147.0 5.25 5 147.1 6.16 6 147.2 6.83 6 147.3 6.93 6 147.4 5.92 5 147.5 3.79 3 162.3 0.79 0 162.4 2.22 2 162.5 4.93 4 162.6 9.16 9 162.7 15.46 15 162.8 24.2 24 162.9 34.04 34 163.0 41.9 41 163.1 45.28 45 163.2 43.59 43 163.3 37.04 37 163.4 26.24 26 163.5 13.75 13 163.6 3.81 3 202.4 1.23 1 202.5 3.98 3 202.6 9.25 9 202.7 18.73 18 202.8 33.78 33 202.9 53.29 53 203.0 73.52 73 203.1 90.1 90 203.2 99.71 99 203.3 100.0 99 203.4 88.94 88 203.5 66.21 66 203.6 36.8 36 203.7 11.11 11 203.8 0.13 0 254.5 1.08 1 254.6 2.24 2 254.7 4.15 4 254.8 6.85 6 254.9 9.91 9 255.0 12.53 12 255.1 13.89 13 255.2 13.46 13 255.3 11.15 11 255.4 7.46 7 255.5 3.55 3 268.5 1.12 1 268.6 2.29 2 268.7 4.4 4 268.8 7.98 7 268.9 12.75 12 269.0 17.37 17 269.1 20.32 20 269.2 20.67 20 269.3 18.12 18 269.4 13.02 13 269.5 6.86 6 269.6 1.88 1 364.5 1.92 1 364.6 3.82 3 364.7 7.51 7 364.8 14.41 14 364.9 24.8 24 365.0 36.7 36 365.1 46.89 46 365.2 53.13 53 365.3 54.28 54 365.4 49.08 49 365.5 36.81 36 365.6 20.3 20 365.7 5.86 5 365.8 0.0 0 382.4 0.66 0 382.5 2.16 2 382.6 4.4 4 382.7 7.51 7 382.8 12.63 12 382.9 20.94 20 383.0 31.92 31 383.1 42.87 42 383.2 50.37 50 383.3 51.95 51 383.4 46.49 46 383.5 34.49 34 383.6 19.15 19 383.7 5.9 5 383.8 0.0 0 //