ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009248
RECORD_TITLE: TETRACOSANOIC 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$NAME: TETRACOSANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₈O₂
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
CH$LINK: INCHIKEY QZZGJDVWLFXDLK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021664

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$SPLASH: splash10-07bf-9000000000-2ae141518702212751a7
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  27 5.9 59
  28 1.9 19
  29 18.6 186
  39 0.53 5
  40 1 10
  41 49.4 494
  42 10 100
  43 99.99 999
  44 2.6 26
  45 6.9 69
  53 1.9 19
  54 0.38 4
  55 58.1 581
  56 13.7 137
  57 81.7 817
  58 0.38 4
  59 3.2 32
  60 58.6 586
  61 22.4 224
  67 0.57 6
  68 5.4 54
  69 39.1 391
  70 8.6 86
  71 3.63 36
  72 2.2 22
  73 62.9 629
  74 4.8 48
  79 0.16 2
  81 4.4 44
  82 4.9 49
  83 25.9 259
  84 0.76 8
  85 18.9 189
  86 1.7 17
  87 9.6 96
  88 0.13 1
  89 1.3 13
  93 1.3 13
  95 3.9 39
  96 0.36 4
  97 15.6 156
  98 8.9 89
  99 3.6 36
  100 0.1 1
  101 5 50
  102 1.8 18
  107 1.1 11
  109 0.23 2
  110 2 20
  111 7.1 71
  112 2.7 27
  113 0.24 2
  115 5.8 58
  116 3.8 38
  121 1.3 13
  123 0.13 1
  124 1.2 12
  125 3.8 38
  126 1.4 14
  127 0.18 2
  129 19.4 194
  130 2.2 22
  135 1.3 13
  139 0.2 2
  141 1.2 12
  143 1.8 18
  153 1.5 15
  154 0.19 2
  157 1.3 13
  167 1.1 11
  171 2.5 25
  185 0.37 4
  213 1.3 13
  227 1.2 12
  241 1.2 12
  269 0.21 2
  283 1.2 12
  325 3.6 36
  326 1.1 11
  340 0.15 2
  368 37.4 374
  369 9.4 94
  370 1.7 17
//