ACCESSION: MSBNK-Tottori_Univ-TT000121
RECORD_TITLE: Citrinolactone A; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: Kimura Y, Kuramata M, Faculty of Agriculture, Tottori University
LICENSE: CC BY-SA
PUBLICATION: Kuramata, M., Fujioka, S., Shimada, A., Kawano, T., and Kimura, Y. 2007. Citrinolactones A, B and C, and Sclerotinin C, Plant Growth Regulators from Penicillium citrinum. Bioscience, Biotechnology, and Biochemistry. 71(2): 499-503.
COMMENT: [Analytical] Sample was directly injected

CH$NAME: Citrinolactone A
CH$COMPOUND_CLASS: Natural Product; Isocoumarin
CH$FORMULA: C₁₅H₁₄O₆
CH$EXACT_MASS: 290.07904
CH$SMILES: CC1=CC(=C2C(=C1)C3=C(CC[C@]3(C(=O)OC)O)OC2=O)O
CH$IUPAC: InChI=1S/C15H14O6/c1-7-5-8-11(9(16)6-7)13(17)21-10-3-4-15(19,12(8)10)14(18)20-2/h5-6,16,19H,3-4H2,1-2H3/t15-/m0/s1
CH$LINK: NIKKAJI J2.430.782D
CH$LINK: INCHIKEY MWJQDTTVNPGMAY-HNNXBMFYSA-N
CH$LINK: PUBCHEM CID:102595349

AC$INSTRUMENT: JEOL JMX-SX 102
AC$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 231.0430

PK$SPLASH: splash10-001i-5590000000-da772180c4b263296a1a
PK$NUM_PEAK: 228
PK$PEAK: m/z int. rel.int.
  40.0 12 12
  41.0 48 48
  42.0 6 6
  43.0 45 45
  44.0 13 13
  45.0 10 10
  47.0 1 1
  49.1 1 1
  50.1 23 23
  51.1 88 88
  52.1 58 58
  53.1 71 71
  54.1 7 7
  55.0 88 88
  56.1 9 9
  57.1 34 34
  57.6 2 2
  58.1 2 2
  59.0 31 31
  60.0 27 27
  61.0 5 5
  62.0 18 18
  63.0 55 55
  63.5 3 3
  64.0 28 28
  64.5 3 3
  65.0 59 59
  65.5 2 2
  66.1 45 45
  67.1 23 23
  68.1 5 5
  69.0 90 90
  69.6 1 1
  70.0 7 7
  71.0 21 21
  72.0 2 2
  73.1 24 24
  73.6 1 1
  74.1 13 13
  75.0 25 25
  76.0 20 20
  77.0 108 108
  77.5 1 1
  78.1 31 31
  78.5 2 2
  79.0 91 91
  80.0 25 25
  80.9 36 36
  81.8 7 7
  83.1 12 12
  84.0 4 4
  84.8 3 3
  85.1 12 12
  85.9 4 4
  86.5 1 1
  86.9 13 13
  87.4 3 3
  88.0 13 13
  88.5 12 12
  89.0 59 59
  89.9 13 13
  91.0 41 41
  92.0 15 15
  92.5 5 5
  93.0 13 13
  94.0 33 33
  95.0 15 15
  96.0 3 3
  97.0 21 21
  98.0 3 3
  99.1 4 4
  100.1 5 5
  100.6 2 2
  101.1 26 26
  101.6 19 19
  102.1 17 17
  103.1 18 18
  104.0 6 6
  104.9 25 25
  106.0 33 33
  106.5 5 5
  107.0 22 22
  107.9 8 8
  109.0 13 13
  110.0 2 2
  111.0 6 6
  112.1 2 2
  113.0 4 4
  113.9 4 4
  115.0 72 72
  115.5 71 71
  116.0 16 16
  116.5 1 1
  117.0 11 11
  118.0 7 7
  119.0 13 13
  120.0 4 4
  121.1 28 28
  122.0 87 87
  123.0 18 18
  124.0 3 3
  124.9 47 47
  126.0 7 7
  127.0 28 28
  128.0 56 56
  129.0 34 34
  130.0 5 5
  130.9 16 16
  132.0 13 13
  132.9 15 15
  133.9 19 19
  134.9 11 11
  136.0 2 2
  136.9 4 4
  138.1 1 1
  138.9 4 4
  140.0 2 2
  141.0 4 4
  141.9 7 7
  143.0 5 5
  144.1 6 6
  145.0 12 12
  146.0 3 3
  147.1 8 8
  148.0 3 3
  149.0 14 14
  150.0 59 59
  151.0 170 170
  152.0 39 39
  153.0 4 4
  153.8 1 1
  155.0 5 5
  155.8 4 4
  156.0 3 3
  156.9 26 26
  157.7 7 7
  158.1 4 4
  158.9 3 3
  159.9 10 10
  161.0 14 14
  161.9 2 2
  163.0 4 4
  164.1 1 1
  165.1 1 1
  166.0 8 8
  167.0 5 5
  168.1 1 1
  169.1 1 1
  170.1 1 1
  171.1 11 11
  172.1 2 2
  173.1 9 9
  174.1 13 13
  175.1 71 71
  176.1 16 16
  177.0 21 21
  178.0 4 4
  179.0 1 1
  181.1 1 1
  183.0 3 3
  184.0 9 9
  185.1 25 25
  186.0 10 10
  187.0 7 7
  188.1 3 3
  189.0 3 3
  190.1 4 4
  191.1 1 1
  192.2 1 1
  193.1 4 4
  198.1 2 2
  199.1 2 2
  200.1 2 2
  201.0 47 47
  202.0 28 28
  203.0 46 46
  204.0 8 8
  205.0 2 2
  207.0 2 2
  211.0 3 3
  211.9 3 3
  213.0 11 11
  214.0 24 24
  215.0 19 19
  216.0 8 8
  217.1 2 2
  219.1 3 3
  221.0 2 2
  222.1 7 7
  223.1 2 2
  227.1 2 2
  228.2 2 2
  229.1 33 33
  230.1 130 130
  231.0 999 999
  232.1 669 669
  233.1 78 78
  234.0 14 14
  235.1 1 1
  239.0 1 1
  240.1 7 7
  241.0 2 2
  242.1 3 3
  243.1 4 4
  244.1 7 7
  245.0 11 11
  246.0 2 2
  256.2 5 5
  257.0 2 2
  257.3 1 1
  258.1 1 1
  261.0 3 3
  262.1 1 1
  268.1 7 7
  269.0 1 1
  271.1 1 1
  272.0 5 5
  273.0 10 10
  274.0 4 4
  278.0 4 4
  279.0 1 1
  281.0 1 1
  288.0 3 3
  289.0 5 5
  290.1 280 280
  291.1 50 50
  292.1 7 7
  300.1 2 2
//