ACCESSION: MSBNK-Tottori_Univ-TT000123
RECORD_TITLE: Citrinolactone B; 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$NAME: Citrinolactone B
CH$COMPOUND_CLASS: Natural Product; Isocoumarin
CH$FORMULA: C₁₃H₁₂O₄
CH$EXACT_MASS: 232.07356
CH$SMILES: CC1=CC(=C2C(=C1)C3=C(CC[C@@H]3O)OC2=O)O
CH$IUPAC: InChI=1S/C13H12O4/c1-6-4-7-11-8(14)2-3-10(11)17-13(16)12(7)9(15)5-6/h4-5,8,14-15H,2-3H2,1H3/t8-/m0/s1
CH$LINK: NIKKAJI J2.430.783B
CH$LINK: INCHIKEY DMYRPFPADKEUEO-QMMMGPOBSA-N
CH$LINK: PUBCHEM CID:102595350

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 214.0330

PK$SPLASH: splash10-0gx0-3590000000-95e3296b5dc751b849ca
PK$NUM_PEAK: 196
PK$PEAK: m/z int. rel.int.
  40.00 18 18
  41.00 44 44
  41.99 9 9
  43.03 29 29
  43.94 7 7
  44.98 2 2
  49.00 1 1
  49.96 35 35
  51.00 121 121
  51.54 2 2
  52.03 57 57
  53.11 115 115
  54.07 7 7
  54.98 77 77
  55.98 4 4
  57.10 6 6
  57.51 5 5
  57.97 2 2
  59.00 2 2
  60.04 2 2
  61.03 5 5
  62.02 25 25
  63.02 66 66
  63.55 5 5
  64.05 47 47
  64.55 7 7
  65.03 152 152
  65.45 4 4
  66.03 59 59
  66.94 24 24
  67.89 4 4
  68.93 44 44
  69.46 4 4
  69.96 11 11
  70.42 2 2
  70.96 4 4
  71.97 3 3
  72.97 4 4
  73.97 20 20
  74.98 32 32
  76.03 30 30
  77.03 124 124
  77.49 2 2
  78.03 38 38
  78.54 3 3
  79.04 55 55
  79.54 2 2
  80.00 27 27
  80.46 3 3
  81.08 34 34
  82.08 6 6
  83.08 2 2
  84.00 6 6
  84.50 1 1
  85.08 1 1
  85.50 1 1
  86.00 7 7
  86.50 1 1
  87.00 17 17
  87.46 2 2
  88.00 13 13
  88.50 9 9
  88.96 46 46
  90.0 15 15
  90.97 44 44
  92.02 27 27
  92.52 6 6
  93.03 72 72
  93.53 6 6
  94.03 35 35
  94.45 1 1
  95.0 17 17
  96.01 1 1
  96.97 5 5
  97.94 4 4
  98.99 3 3
  99.96 4 4
  100.97 23 23
  101.48 11 11
  101.98 50 50
  102.49 3 3
  103.00 24 24
  104.01 6 6
  105.02 41 41
  106.03 54 54
  106.54 3 3
  107.05 51 51
  107.55 9 9
  108.06 6 6
  108.52 1 1
  109.11 48 48
  110.04 4 4
  111.05 2 2
  113.01 3 3
  113.97 5 5
  114.98 80 80
  115.48 25 25
  115.98 61 61
  116.49 7 7
  117.07 12 12
  118.08 8 8
  118.95 10 10
  119.96 4 4
  121.01 87 87
  122.03 79 79
  123.04 9 9
  124.01 6 6
  125.02 7 7
  125.99 4 4
  127.05 26 26
  128.06 59 59
  129.07 51 51
  130.04 20 20
  130.97 24 24
  131.98 16 16
  133.00 48 48
  134.01 54 54
  134.98 30 30
  135.99 3 3
  137.05 1 1
  138.99 6 6
  140.00 4 4
  141.01 9 9
  142.02 2 2
  143.03 6 6
  144.03 18 18
  145.04 17 17
  146.05 5 5
  146.97 8 8
  147.98 5 5
  148.99 7 7
  149.96 34 34
  151.02 164 164
  151.98 16 16
  153.04 1 1
  154.98 2 2
  155.99 2 2
  157.00 34 34
  158.02 72 72
  159.03 22 22
  160.04 10 10
  160.96 23 23
  162.05 2 2
  162.97 3 3
  164.02 1 1
  164.94 2 2
  166.95 1 1
  167.95 5 5
  168.95 5 5
  170.00 1 1
  170.97 9 9
  171.97 3 3
  172.98 6 6
  173.99 6 6
  175.00 24 24
  175.92 27 27
  176.93 31 31
  178.03 5 5
  178.99 1 1
  183.00 1 1
  184.01 4 4
  185.06 185 185
  186.05 412 412
  187.05 67 67
  188.06 8 8
  188.99 6 6
  190.00 3 3
  192.99 2 2
  195.93 4 4
  196.93 2 2
  198.01 2 2
  198.92 2 2
  199.96 4 4
  200.92 13 13
  201.97 11 11
  203.05 773 773
  204.10 375 375
  205.02 52 52
  206.03 6 6
  207.03 1 1
  212.04 2 2
  212.96 24 24
  214.03 999 999
  215.08 295 295
  216.04 41 41
  217.00 8 8
  218.08 1 1
  222.02 4 4
  226.03 1 1
  228.97 6 6
  230.00 16 16
  231.08 258 258
  232.04 999 999
  233.04 196 196
  234.00 24 24
  235.04 2 2
//