MassBank Record: NGA00215



 O-(3-Hydroxy-7-drimen-11-yl)umbelliferone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00215
RECORD_TITLE: O-(3-Hydroxy-7-drimen-11-yl)umbelliferone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$LINK: INCHIKEY MCTDXPDDZLFJHR-LOCCHRAXSA-N CH$LINK: PUBCHEM CID:11898466
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-0930000000-1d1f0ceed1fefcfc386f PK$NUM_PEAK: 82 PK$PEAK: m/z int. rel.int. 118.6 1.89 1 118.7 3.48 3 118.8 6.03 6 118.9 8.84 8 119.0 10.76 10 119.1 10.95 10 119.2 9.38 9 119.3 6.6 6 119.4 3.51 3 132.6 1.37 1 132.7 3.27 3 132.8 6.32 6 132.9 9.48 9 133.0 11.37 11 133.1 11.48 11 133.2 10.19 10 133.3 7.94 7 133.4 5.01 5 133.5 2.12 2 146.5 1.67 1 146.6 2.55 2 146.7 4.88 4 146.8 9.34 9 146.9 14.88 14 147.0 19.25 19 147.1 21.02 20 147.2 20.38 20 147.3 17.75 17 147.4 13.14 13 147.5 7.29 7 147.6 2.24 2 160.6 1.24 1 160.7 3.41 3 160.8 6.94 6 160.9 10.68 10 161.0 13.19 13 161.1 13.85 13 161.2 13.0 12 161.3 11.11 11 161.4 8.25 8 161.5 4.76 4 161.6 1.72 1 162.2 2.25 2 162.3 4.26 4 162.4 7.53 7 162.5 12.82 12 162.6 21.9 21 162.7 36.47 36 162.8 56.31 56 162.9 77.75 77 163.0 94.23 94 163.1 100.0 99 163.2 93.6 93 163.3 76.97 76 163.4 53.28 53 163.5 27.68 27 163.6 7.51 7 163.7 0.0 0 202.4 1.97 1 202.5 3.05 3 202.6 4.51 4 202.7 8.26 8 202.8 16.93 16 202.9 30.08 30 203.0 42.85 42 203.1 50.02 49 203.2 50.79 50 203.3 47.47 47 203.4 40.88 40 203.5 29.96 29 203.6 16.14 16 203.7 4.47 4 382.7 1.93 1 382.8 3.5 3 382.9 5.98 5 383.0 8.49 8 383.1 10.08 10 383.2 10.53 10 383.3 10.21 10 383.4 9.03 9 383.5 6.59 6 383.6 3.31 3 //

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