MassBank Record: NGA00216



 O-(3-Hydroxy-7-drimen-11-yl)umbelliferone; 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: NGA00216
RECORD_TITLE: O-(3-Hydroxy-7-drimen-11-yl)umbelliferone; 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, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids

CH$NAME: O-(3-Hydroxy-7-drimen-11-yl)umbelliferone CH$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$LINK: INCHIKEY MCTDXPDDZLFJHR-LOCCHRAXSA-N
AC$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$SPLASH: splash10-03di-0900000000-ee3ad543af58d93c3cff PK$NUM_PEAK: 90 PK$PEAK: m/z int. rel.int. 104.6 1.77 1 104.7 3.05 3 104.8 5.06 5 104.9 6.79 6 105.0 7.3 7 105.1 6.74 6 105.2 5.89 5 105.3 4.88 4 105.4 3.37 3 106.7 2.27 2 106.8 3.44 3 106.9 4.51 4 107.0 5.22 5 107.1 5.53 5 107.2 5.34 5 107.3 4.4 4 107.4 2.77 2 118.5 1.67 1 118.6 3.09 3 118.7 5.63 5 118.8 9.02 9 118.9 11.96 11 119.0 13.43 13 119.1 13.83 13 119.2 13.93 13 119.3 13.1 13 119.4 10.04 10 119.5 5.31 5 119.6 1.25 1 132.5 0.66 0 132.6 2.01 2 132.7 4.86 4 132.8 8.91 8 132.9 12.69 12 133.0 14.57 14 133.1 14.05 14 133.2 11.88 11 133.3 8.84 8 133.4 5.41 5 133.5 2.23 2 146.4 1.98 1 146.5 3.16 3 146.6 4.41 4 146.7 6.49 6 146.8 10.53 10 146.9 16.29 16 147.0 21.54 21 147.1 23.99 23 147.2 23.15 23 147.3 19.74 19 147.4 14.38 14 147.5 8.03 8 147.6 2.6 2 160.6 1.58 1 160.7 2.92 2 160.8 5.37 5 160.9 8.49 8 161.0 11.04 11 161.1 12.17 12 161.2 12.23 12 161.3 11.74 11 161.4 10.12 10 161.5 6.84 6 161.6 2.93 2 162.1 0.87 0 162.2 2.16 2 162.3 4.98 4 162.4 8.86 8 162.5 14.3 14 162.6 24.7 24 162.7 43.24 43 162.8 67.04 66 162.9 87.69 87 163.0 98.8 98 163.1 100.0 99 163.2 92.41 92 163.3 74.89 74 163.4 48.5 48 163.5 21.15 21 163.6 3.06 3 202.7 2.5 2 202.8 4.05 4 202.9 6.45 6 203.0 8.86 8 203.1 10.4 10 203.2 10.91 10 203.3 10.61 10 203.4 9.22 9 203.5 6.42 6 203.6 2.92 2 //