ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010864
RECORD_TITLE: EICOSANO1C ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: EICOSANO1C ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₀O₂
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
CH$LINK: INCHIKEY VKOBVWXKNCXXDE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060134

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0596-9100000000-53a544b7fbf2ee3b176a
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  27 9.3 93
  39 7.1 71
  41 67.7 677
  42 12.5 125
  43 99.99 999
  45 6.6 66
  53 4 40
  54 5.5 55
  55 66.5 665
  56 12.4 124
  57 81 810
  58 1.2 12
  59 2.2 22
  60 79.8 798
  61 21.5 215
  67 7.8 78
  68 6.3 63
  69 28.6 286
  70 8.6 86
  71 29 290
  72 2.9 29
  73 87 870
  74 6.7 67
  79 1.9 19
  81 6.2 62
  82 5.8 58
  83 22.3 223
  84 9.8 98
  85 19.5 195
  87 14.3 143
  88 2.1 21
  95 4.3 43
  96 4.3 43
  97 17.3 173
  98 10.7 107
  99 6.3 63
  101 6.6 66
  102 2.4 24
  109 1.7 17
  110 1.8 18
  112 3.4 34
  113 3.9 39
  115 9.1 91
  116 5.1 51
  125 4.6 46
  126 1.2 12
  127 2.1 21
  129 24.5 245
  130 2.7 27
  139 1.8 18
  141 1.2 12
  143 2.8 28
  157 3.3 33
  171 5.1 51
  185 6.6 66
  199 1.3 13
  213 5.7 57
  227 4.1 41
  241 1.8 18
  255 1.2 12
  269 9.4 94
  270 1.7 17
  283 1.5 15
//