MassBank Record: CB000253



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

ACCESSION: CB000253
RECORD_TITLE: O-(3-Hydroxy-7-drimen-11-yl)umbelliferone; LC-ESI-QQQ; MS; [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$INSTRUMENT: ABSciex API3200 LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0119000100-6507a0f0612968b168cf PK$NUM_PEAK: 123 PK$PEAK: m/z int. rel.int. 118.5000 103840.7578 28 118.9000 91006.4922 24 119.1000 89839.7500 24 146.7000 92756.6250 25 146.8000 96256.8672 26 146.9000 132426.1094 36 147.0000 107924.3828 29 147.1000 95090.1328 25 147.2000 95673.4922 26 160.7000 93340.0000 25 160.8000 86339.4922 23 161.1000 88089.6250 24 162.4000 152260.8750 42 162.5000 324356.5000 91 162.6000 389111.1563 109 162.7000 469616.9063 132 162.8000 465533.2188 131 162.9000 705883.6875 199 163.0000 723385.0625 204 163.1000 579874.6875 163 163.2000 546622.3125 154 163.3000 471367.0000 132 163.4000 313855.7500 88 202.5000 130675.9922 36 202.6000 319106.1250 89 202.7000 448615.4063 126 202.8000 526204.3125 148 202.9000 570540.7500 160 203.0000 586291.9375 165 203.1000 615460.5625 173 203.2000 526204.3125 148 203.3000 514536.7188 145 203.4000 439864.7500 123 203.5000 448032.0000 126 203.6000 197180.7500 54 203.7000 141760.1094 39 203.8000 83422.6250 22 203.9000 81089.1250 22 204.1000 110257.8828 30 204.2000 81672.4922 22 204.3000 92756.6250 25 204.4000 93339.9922 25 204.5000 92756.6328 25 364.6000 123092.1250 33 364.7000 127175.7422 35 364.8000 179096.1094 49 364.9000 186096.6094 51 365.0000 205931.3750 57 365.1000 202431.1094 56 365.2000 193680.5156 53 365.3000 164511.7500 45 365.4000 123675.5156 34 365.5000 93339.9922 25 365.6000 118425.1250 32 382.4000 249684.5156 69 382.5000 1078660.3750 305 382.6000 2033645.1250 576 382.7000 2508512.5000 710 382.8000 2817118.2500 798 382.9000 2909290.5000 824 383.0000 3042884.5000 862 383.1000 2806033.7500 795 383.2000 3523585.0000 999 383.3000 2595435.5000 735 383.4000 2493344.5000 706 383.5000 1569862.1250 444 383.6000 1554694.2500 440 383.7000 1145165.2500 324 383.8000 984153.6875 278 383.9000 1073993.2500 303 384.0000 1113663.0000 315 384.1000 1043657.9375 295 384.2000 959651.8750 271 384.3000 875062.5625 247 384.4000 845893.8125 239 384.5000 466700.0000 131 384.6000 278269.8438 77 384.7000 210598.3438 58 384.8000 169762.1563 47 384.9000 173262.3750 48 385.0000 197180.7500 54 385.1000 259018.5156 72 385.2000 178512.7656 49 385.3000 170928.8750 47 385.4000 140593.3906 38 385.5000 99173.7578 27 423.7000 87506.2500 23 423.8000 126592.3828 34 423.9000 124842.2578 34 424.0000 114341.5000 31 424.1000 91589.8828 24 424.2000 121925.3828 33 424.4000 77588.8750 21 764.6000 171512.2656 47 764.7000 238600.3906 66 764.8000 401362.0313 112 764.9000 608460.1250 171 765.0000 408945.9063 115 765.1000 415946.3750 117 765.2000 421196.7813 118 765.3000 382110.6563 107 765.4000 376276.8750 105 765.5000 179096.1406 49 765.6000 175595.8750 48 765.7000 227516.2344 63 765.8000 213515.2500 59 765.9000 253768.1250 71 766.0000 239183.7656 66 766.1000 235100.1406 65 766.2000 264852.2500 74 766.3000 209431.6250 58 766.4000 186096.6094 51 766.5000 110257.8906 30 766.9000 100923.8672 27 767.1000 89256.3750 24 781.7000 84006.0000 22 781.8000 100340.5078 27 781.9000 140593.3906 38 782.0000 102090.6250 27 782.1000 111424.6094 30 782.2000 106757.6250 29 782.3000 80505.7500 21 782.4000 84006.0000 22 //

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