ACCESSION: MSBNK-Tottori_Univ-TT000154
RECORD_TITLE: alpha,beta-Dehydrocurvularin; FAB-EB; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: Kimura Y, Kusano M, 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: C[C@H]1CCC/C=C/C(=O)C2=C(C=C(C=C2CC(=O)O1)O)O
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: CHEMSPIDER 4942635
CH$LINK: NIKKAJI J1.002.893K
CH$LINK: PUBCHEM CID:6438143
CH$LINK: INCHIKEY AVIRMQMUBGNCKS-RWCYGVJQSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FAB-EB
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION FAB

MS$FOCUSED_ION: BASE_PEAK 291.1699

PK$SPLASH: splash10-0006-5971000000-e71ed60c60d5a05326ff
PK$NUM_PEAK: 369
PK$PEAK: m/z int. rel.int.
  15.4 2 2
  19.4 13 13
  27.4 5 5
  28.3 3 3
  29.4 24 24
  30.4 1 1
  31.3 14 14
  39.4 6 6
  41.4 13 13
  42.2 3 3
  43.5 35 35
  44.3 5 5
  45.3 64 64
  46.4 1 1
  47.3 5 5
  51.3 1 1
  53.3 5 5
  54.3 12 12
  55.3 23 23
  56.3 9 9
  57.3 130 130
  58.3 12 12
  59.3 11 11
  60.4 4 4
  60.8 1 1
  61.2 16 16
  65.2 3 3
  66.3 2 2
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  68.3 2 2
  69.3 12 12
  70.2 2 2
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  72.1 4 4
  73.2 27 27
  74.3 24 24
  75.3 290 290
  76.2 11 11
  77.2 8 8
  78.2 1 1
  79.2 6 6
  80.3 1 1
  81.2 29 29
  82.3 3 3
  83.2 8 8
  84.2 2 2
  85.3 19 19
  86.2 3 3
  87.2 15 15
  88.2 2 2
  89.2 7 7
  90.2 7 7
  91.2 15 15
  92.2 2 2
  93.2 584 584
  94.2 24 24
  95.2 45 45
  96.2 39 39
  97.2 11 11
  98.2 2 2
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  100.2 3 3
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  104.1 4 4
  105.0 13 13
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  107.1 8 8
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  110.1 4 4
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  114.1 2 2
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  120.1 5 5
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  122.0 6 6
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  128.0 4 4
  129.0 52 52
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  140.1 3 3
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  149.1 321 321
  150.0 44 44
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  153.0 7 7
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  160.1 5 5
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  166.1 30 30
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  184.0 3 3
  185.1 629 629
  186.1 48 48
  187.1 26 26
  188.2 5 5
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  192.1 8 8
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  194.0 58 58
  195.1 207 207
  196.0 24 24
  197.2 59 59
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  200.1 3 3
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  203.1 22 22
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  206.1 6 6
  207.0 19 19
  208.0 5 5
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  212.1 4 4
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  214.2 8 8
  215.1 11 11
  216.2 4 4
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  220.2 4 4
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  222.0 6 6
  223.1 14 14
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  226.1 3 3
  227.1 49 49
  228.0 7 7
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  231.1 13 13
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  236.2 2 2
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  238.2 4 4
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  241.2 140 140
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  245.2 13 13
  246.2 4 4
  247.2 19 19
  248.1 6 6
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  251.1 6 6
  252.1 2 2
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  254.2 4 4
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  256.3 10 10
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  258.1 6 6
  259.1 8 8
  260.1 3 3
  261.1 7 7
  262.1 4 4
  263.1 9 9
  264.2 4 4
  265.2 5 5
  266.1 2 2
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  268.2 2 2
  269.1 8 8
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  272.2 4 4
  273.2 49 49
  274.2 14 14
  275.1 24 24
  276.2 6 6
  277.2 39 39
  278.2 6 6
  279.2 11 11
  280.2 3 3
  281.2 4 4
  282.3 3 3
  283.1 14 14
  284.3 17 17
  285.3 6 6
  286.3 2 2
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  288.2 20 20
  289.2 73 73
  290.2 90 90
  291.2 999 999
  292.2 207 207
  293.2 52 52
  294.3 9 9
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  296.3 3 3
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  301.1 7 7
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  306.1 13 13
  307.1 32 32
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  311.1 4 4
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  384.2 15 15
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  392.4 2 2
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  399.3 5 5
  401.3 4 4
  402.4 1 1
  403.2 4 4
  404.3 2 2
  405.2 7 7
  406.4 2 2
  407.3 7 7
  408.2 3 3
//