ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009247
RECORD_TITLE: DOCOSANOIC 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$NAME: DOCOSANOIC ACID
CH$NAME: BEHENIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₄O₂
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
CH$LINK: INCHIKEY UKMSUNONTOPOIO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026930

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$SPLASH: splash10-0596-9100000000-eb78c2ccaf4cc9882ed1
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  27 12.2 122
  29 23.6 236
  30 1.2 12
  31 0.13 1
  39 7 70
  41 70.1 701
  42 13.4 134
  43 99.99 999
  44 1.4 14
  45 7.8 78
  53 3.8 38
  54 0.52 5
  55 62.7 627
  56 13.5 135
  57 70.2 702
  58 0.28 3
  59 3.8 38
  60 69.4 694
  61 21.2 212
  62 0.11 1
  67 7.2 72
  68 5.6 56
  69 36.2 362
  70 0.89 9
  71 30.3 303
  72 2 20
  73 65.6 656
  74 0.73 7
  79 1.9 19
  81 5.2 52
  82 5.2 52
  83 2.19 22
  84 7.7 77
  85 19.2 192
  86 1.7 17
  87 1.23 12
  88 1.5 15
  93 1.5 15
  94 1 10
  95 0.28 3
  96 3.7 37
  97 14 140
  98 8.3 83
  99 0.49 5
  100 1.2 12
  101 5 50
  102 1.8 18
  107 0.11 1
  109 2.1 21
  110 1.9 19
  111 6.7 67
  112 0.25 3
  113 3.4 34
  115 6.9 69
  116 3.8 38
  121 0.13 1
  123 1.2 12
  124 1.2 12
  125 3.5 35
  126 0.15 2
  127 1.7 17
  129 25.5 255
  130 2.6 26
  135 0.12 1
  138 1 10
  139 2 20
  141 1.3 13
  143 0.28 3
  155 1.1 11
  157 2.2 22
  158 1 10
  171 0.4 4
  172 2.2 22
  185 6.7 67
  186 1.4 14
  199 0.22 2
  213 2 20
  227 2.2 22
  241 5.8 58
  242 0.11 1
  255 1.8 18
  269 2.2 22
  284 6.4 64
  285 0.19 2
  297 3.4 34
//