ACCESSION: MSBNK-Tottori_Univ-TT000153
RECORD_TITLE: alpha,beta-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$NAME: alpha,beta-Dehydrocurvularin
CH$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: 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
//