ACCESSION: MSBNK-RIKEN_NPDepo-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 T, Okano A, CSRS, RIKEN
LICENSE: CC BY
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
//