MassBank Record: TT000153



 alpha,beta-Dehydrocurvularin; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TT000153
RECORD_TITLE: alpha,beta-Dehydrocurvularin; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: Kimura YFaculty of Agriculture, Tottori University, Kusano MFaculty of Agriculture, Tottori University, Faculty of Agriculture, Tottori University
LICENSE: CC BY-SA
PUBLICATION: Kusano, M., Nakagami, K., Fujioka, S., Kawano, T., Shimada, A., and Kimura, Y. 2003. beta,gamma-Dehydrocurvularin and Related Compounds as Nematicides of Pratylenchus penetrans from the Fungus Aspergillus sp. Biosci. Biotechnol. Biochem., 67 (6):1413 -1416.
COMMENT: [Analytical] Sample was directly injected

CH$NAME: alpha,beta-Dehydrocurvularin CH$NAME: (4S,8E)-4beta-Methyl-11,13-dihydroxy-1,4,5,6,7,10-hexahydro-2H-3-benzoxacyclododecin-2,10-dione CH$COMPOUND_CLASS: Natural Product; Curvularin CH$FORMULA: C16H18O5 CH$EXACT_MASS: 290.11542 CH$SMILES: CC(C2)OC(=O)Cc(c1)c(C(=O)C=CCC2)c(O)cc(O)1 CH$IUPAC: InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+/t10-/m0/s1 CH$LINK: NIKKAJI J1.002.893K CH$LINK: PUBCHEM CID:6438143 CH$LINK: INCHIKEY AVIRMQMUBGNCKS-RWCYGVJQSA-N
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_POTENTIAL 70 eV
MS$FOCUSED_ION: BASE_PEAK 166.0013
PK$SPLASH: splash10-014m-3910000000-beee4ad69248060c4eaa PK$NUM_PEAK: 240 PK$PEAK: m/z int. rel.int. 41.08 54 54 42.11 10 10 43.09 23 23 44.08 8 8 45.07 6 6 46.05 1 1 47.04 1 1 50.04 4 4 51.03 14 14 52.06 8 8 53.09 38 38 54.05 281 281 54.98 60 60 56.05 7 7 57.04 11 11 58.03 2 2 59.01 2 2 59.96 5 5 60.50 1 1 60.95 2 2 61.91 2 2 62.95 9 9 63.95 6 6 64.95 49 49 65.95 38 38 67.05 107 107 68.00 24 24 69.00 103 103 70.00 6 6 71.09 7 7 71.99 1 1 72.94 7 7 73.53 1 1 73.98 3 3 74.98 8 8 75.97 5 5 77.06 30 30 78.05 7 7 79.10 23 23 80.00 8 8 81.13 197 197 82.07 16 16 83.06 7 7 84.05 2 2 84.95 7 7 86.08 1 1 86.94 3 3 87.93 2 2 88.96 7 7 89.91 2 2 90.96 25 25 91.97 12 12 92.98 22 22 93.99 25 25 95.00 24 24 96.08 271 271 97.02 31 31 98.03 3 3 99.04 6 6 100.05 1 1 101.05 3 3 101.96 9 9 102.97 11 11 104.06 2 2 105.07 9 9 105.94 4 4 106.99 13 13 107.99 8 8 108.45 1 1 108.95 6 6 109.95 4 4 111.01 21 21 112.07 2 2 113.09 3 3 114.01 3 3 115.02 23 23 116.08 5 5 117.05 4 4 118.11 7 7 119.08 8 8 120.05 24 24 121.01 143 143 121.99 64 64 122.99 27 27 123.94 4 4 125.07 2 2 126.06 1 1 126.97 6 6 127.92 9 9 128.91 9 9 129.91 5 5 130.93 19 19 131.94 6 6 133.01 6 6 133.98 8 8 135.00 10 10 136.02 5 5 136.94 46 46 138.01 12 12 139.03 4 4 140.14 2 2 141.05 4 4 142.15 1 1 143.06 4 4 144.06 5 5 145.07 6 6 145.98 8 8 146.94 37 37 147.99 42 42 148.95 37 37 150.01 242 242 150.93 47 47 151.94 5 5 152.96 3 3 154.07 1 1 155.09 2 2 156.02 1 1 156.99 7 7 158.06 2 2 159.07 4 4 160.05 20 20 161.05 32 32 161.96 10 10 162.97 48 48 163.97 41 41 164.98 13 13 166.00 999 999 167.03 556 556 167.99 57 57 169.00 7 7 170.00 1 1 171.01 2 2 171.94 4 4 172.95 16 16 173.96 17 17 175.02 55 55 175.94 166 166 177.05 72 72 178.06 13 13 179.03 9 9 180.05 2 2 181.00 4 4 182.05 1 1 183.15 1 1 184.06 1 1 185.02 8 8 185.98 3 3 186.99 6 6 187.99 5 5 189.00 26 26 190.00 28 28 191.00 7 7 191.99 36 36 192.99 11 11 193.99 852 852 195.07 657 657 195.97 70 70 196.88 10 10 197.92 2 2 198.91 4 4 199.91 2 2 200.92 16 16 201.94 13 13 202.86 71 71 203.87 21 21 204.84 42 42 205.99 11 11 207.00 2 2 207.93 3 3 209.03 1 1 210.05 1 1 211.05 3 3 212.95 4 4 213.95 3 3 214.95 8 8 215.95 6 6 216.95 10 10 217.95 20 20 218.95 7 7 220.00 6 6 220.96 17 17 221.97 2 2 222.98 2 2 224.08 1 1 225.05 1 1 226.01 1 1 227.06 4 4 228.07 3 3 229.08 17 17 230.05 7 7 230.99 10 10 232.03 6 6 233.11 6 6 233.96 6 6 235.00 3 3 236.08 1 1 241.05 2 2 242.00 1 1 242.95 6 6 243.91 6 6 245.00 4 4 245.91 6 6 247.09 16 16 248.05 16 16 249.09 3 3 250.09 1 1 253.92 1 1 254.95 1 1 255.90 2 2 256.17 4 4 256.98 7 7 258.02 3 3 259.10 1 1 260.05 2 2 261.00 2 2 262.09 3 3 263.05 1 1 268.14 1 1 269.00 1 1 270.05 1 1 271.13 2 2 272.08 16 16 273.03 3 3 273.98 7 7 275.16 8 8 276.06 2 2 277.06 1 1 278.05 1 1 279.19 1 1 281.00 1 1 282.90 1 1 284.16 1 1 286.06 1 1 287.06 1 1 288.10 36 36 289.05 10 10 290.07 263 263 290.97 48 48 292.05 11 11 293.09 2 2 //