ACCESSION: MSBNK-Tottori_Univ-TT000133
RECORD_TITLE: beta,gamma-Dehydrocurvularin; EI-B; 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$NAME: beta,gamma-Dehydrocurvularin
CH$NAME: (4S,7E)-4beta-Methyl-11,13-dihydroxy-1,4,5,6,9,10-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]1CC/C=C/CC(=O)C2=C(C=C(C=C2CC(=O)O1)O)O
CH$IUPAC: InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h2,4,7,9-10,17,19H,3,5-6,8H2,1H3/b4-2+/t10-/m0/s1
CH$LINK: NIKKAJI J1.929.029H
CH$LINK: INCHIKEY ZWRCIODUEDCNMZ-YWNRKNDBSA-N
CH$LINK: PUBCHEM CID:134785854

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 288.0760

PK$SPLASH: splash10-000i-3690000000-8c99655e0767b6a440c3
PK$NUM_PEAK: 298
PK$PEAK: m/z int. rel.int.
  40.0 12 12
  41.0 78 78
  42.0 23 23
  43.1 77 77
  43.9 38 38
  45.0 16 16
  46.1 2 2
  47.1 2 2
  48.0 1 1
  49.0 1 1
  50.1 15 15
  51.0 47 47
  52.0 22 22
  52.9 32 32
  54.0 10 10
  55.1 100 100
  56.0 36 36
  57.1 24 24
  57.5 1 1
  58.0 6 6
  59.0 6 6
  59.9 20 20
  61.0 4 4
  62.0 10 10
  63.0 31 31
  64.0 16 16
  65.0 60 60
  65.5 1 1
  65.9 29 29
  67.0 24 24
  67.9 6 6
  69.0 87 87
  70.0 9 9
  71.1 14 14
  72.0 2 2
  72.9 20 20
  73.5 1 1
  74.0 9 9
  75.0 19 19
  76.0 18 18
  77.0 101 101
  78.1 47 47
  79.1 35 35
  79.6 1 1
  80.1 9 9
  80.5 1 1
  81.0 19 19
  82.0 8 8
  83.1 101 101
  84.0 12 12
  85.0 20 20
  86.0 4 4
  87.1 10 10
  88.0 12 12
  88.5 1 1
  89.1 30 30
  90.0 16 16
  91.0 94 94
  92.0 14 14
  93.0 18 18
  93.5 5 5
  94.0 18 18
  95.0 15 15
  95.5 1 1
  96.0 7 7
  97.0 19 19
  98.1 9 9
  99.1 5 5
  99.5 1 1
  100.1 4 4
  100.6 1 1
  101.0 11 11
  102.1 24 24
  102.6 1 1
  103.1 41 41
  103.5 1 1
  104.1 14 14
  105.0 27 27
  106.1 29 29
  107.1 35 35
  108.1 10 10
  109.2 22 22
  109.6 3 3
  110.2 4 4
  111.1 18 18
  112.1 29 29
  113.1 6 6
  114.0 4 4
  115.1 52 52
  115.5 2 2
  116.0 15 15
  117.0 11 11
  117.9 20 20
  119.0 24 24
  120.1 19 19
  120.9 53 53
  122.1 34 34
  123.0 29 29
  124.1 7 7
  125.0 2 2
  126.1 2 2
  127.0 12 12
  128.1 16 16
  129.1 16 16
  130.1 10 10
  131.0 45 45
  132.0 21 21
  133.0 40 40
  134.0 66 66
  135.0 72 72
  135.9 54 54
  137.0 13 13
  137.9 18 18
  139.0 12 12
  140.0 2 2
  140.9 8 8
  141.9 4 4
  143.0 5 5
  144.1 10 10
  145.0 15 15
  146.0 23 23
  147.0 64 64
  148.1 43 43
  149.0 112 112
  150.0 116 116
  151.0 81 81
  152.0 9 9
  153.0 4 4
  155.0 4 4
  156.0 2 2
  157.1 9 9
  158.0 6 6
  159.0 25 25
  159.9 33 33
  161.0 53 53
  162.0 163 163
  163.1 161 161
  164.0 66 66
  165.0 18 18
  166.0 17 17
  167.0 73 73
  168.0 13 13
  169.1 3 3
  170.0 2 2
  171.0 11 11
  172.1 10 10
  173.0 29 29
  174.0 34 34
  175.0 54 54
  176.0 102 102
  177.0 193 193
  178.0 184 184
  179.0 63 63
  179.9 9 9
  181.0 4 4
  182.0 2 2
  183.0 2 2
  184.0 4 4
  185.0 13 13
  186.0 10 10
  187.0 49 49
  188.0 22 22
  189.1 45 45
  190.0 36 36
  191.1 18 18
  192.0 29 29
  193.0 228 228
  194.1 26 26
  195.0 45 45
  196.0 4 4
  196.9 5 5
  198.1 3 3
  199.0 11 11
  200.1 38 38
  201.0 38 38
  202.0 17 17
  202.9 31 31
  204.0 209 209
  205.0 441 441
  206.0 140 140
  207.0 75 75
  208.0 23 23
  209.0 5 5
  210.1 2 2
  211.0 2 2
  212.1 2 2
  213.1 13 13
  213.9 12 12
  215.1 36 36
  215.9 79 79
  217.0 69 69
  218.1 68 68
  219.0 33 33
  220.0 6 6
  221.0 19 19
  222.0 365 365
  223.1 52 52
  224.0 9 9
  225.0 4 4
  226.0 2 2
  227.1 27 27
  228.0 82 82
  228.9 137 137
  230.0 29 29
  231.0 43 43
  232.0 113 113
  233.0 30 30
  234.0 6 6
  234.9 9 9
  236.1 27 27
  237.0 5 5
  238.0 2 2
  239.1 1 1
  240.0 2 2
  241.0 21 21
  242.0 37 37
  243.0 75 75
  244.0 61 61
  244.9 33 33
  246.0 21 21
  246.9 29 29
  247.9 6 6
  248.9 4 4
  249.8 14 14
  251.0 4 4
  251.9 25 25
  253.0 3 3
  254.1 1 1
  254.9 50 50
  256.2 11 11
  257.0 4 4
  257.9 8 8
  259.1 16 16
  260.1 7 7
  261.1 11 11
  262.0 3 3
  263.0 1 1
  264.0 3 3
  266.1 1 1
  267.0 2 2
  268.1 3 3
  269.0 34 34
  270.1 148 148
  271.0 29 29
  272.0 5 5
  272.9 74 74
  274.0 25 25
  275.0 4 4
  275.9 5 5
  277.0 1 1
  278.0 6 6
  279.1 2 2
  281.0 4 4
  282.0 1 1
  283.0 1 1
  284.1 8 8
  285.1 5 5
  286.0 29 29
  287.0 13 13
  288.1 999 999
  288.9 187 187
  290.0 27 27
  291.1 5 5
  292.1 1 1
  293.2 4 4
  295.0 2 2
  296.0 1 1
  297.0 1 1
  300.0 2 2
  300.9 1 1
  301.9 7 7
  303.0 2 2
  304.0 6 6
  305.1 1 1
  306.0 39 39
  307.1 7 7
  308.1 2 2
  311.1 1 1
  312.3 1 1
  313.0 2 2
  315.0 2 2
  316.0 1 1
  320.0 1 1
  321.0 1 1
  326.1 2 2
  329.1 1 1
  330.1 1 1
  339.9 1 1
  340.9 1 1
  343.0 1 1
  344.0 28 28
  345.1 5 5
  346.0 3 3
  348.9 1 1
  354.2 1 1
  355.0 6 6
  356.1 1 1
  357.0 2 2
//