MassBank Record: NGA00213



 O-(3-Hydroxy-7-drimen-11-yl)umbelliferone; 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: NGA00213
RECORD_TITLE: O-(3-Hydroxy-7-drimen-11-yl)umbelliferone; 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$NAME: O-(3-Hydroxy-7-drimen-11-yl)umbelliferone CH$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: splash10-001i-0129000000-1f9e80bcd5e066f1c742 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 162.5 1.75 1 162.6 3.63 3 162.7 6.5 6 162.8 9.8 9 162.9 12.55 12 163.0 14.04 14 163.1 14.16 14 163.2 12.92 12 163.3 10.22 10 163.4 6.38 6 163.5 2.6 2 202.6 3.13 3 202.7 4.67 4 202.8 8.18 8 202.9 13.71 13 203.0 19.59 19 203.1 23.84 23 203.2 25.66 25 203.3 25.09 25 203.4 21.82 21 203.5 15.68 15 203.6 8.13 8 203.7 2.05 2 382.3 1.03 1 382.4 2.83 2 382.5 5.8 5 382.6 9.54 9 382.7 15.29 15 382.8 26.78 26 382.9 46.51 46 383.0 70.77 70 383.1 90.81 90 383.2 100.0 99 383.3 97.81 97 383.4 85.94 85 383.5 65.01 64 383.6 38.06 38 383.7 13.48 13 383.8 0.37 0 //

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