ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009203
RECORD_TITLE: DODECANOIC 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$NAME: DODECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₂
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021590

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$SPLASH: splash10-06xx-9100000000-1ef5cd411f38c53a0a92
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  15 1.95 20
  27 18.46 185
  29 37.95 380
  31 2.05 21
  39 12.53 125
  40 3.12 31
  41 68.98 690
  42 12.49 125
  43 66.48 665
  44 2.23 22
  45 27 270
  53 5.02 50
  54 3.6 36
  55 50.67 507
  56 10.58 106
  57 48.65 487
  58 2.08 21
  59 4.41 44
  60 99.99 999
  61 14.53 145
  65 1.16 12
  67 4.06 41
  68 3.3 33
  69 19.83 198
  70 6.07 61
  71 20.77 208
  72 1.7 17
  73 98.2 982
  74 6.65 67
  77 1.48 15
  79 1.74 17
  81 2.75 28
  82 2.55 26
  83 11.35 114
  84 7.2 72
  85 19.46 195
  86 2.24 22
  87 10.66 107
  88 2.71 27
  89 2.45 25
  91 1.16 12
  96 2.44 24
  97 7.19 72
  98 6.28 63
  99 4.53 45
  101 7.84 78
  102 2.52 25
  103 1.75 18
  110 1.46 15
  111 3.73 37
  112 2.51 25
  115 10.71 107
  116 1.82 18
  117 1.28 13
  129 19.32 193
  130 2.33 23
  138 3.34 33
  140 3.42 34
  141 2.17 22
  143 4.14 41
  157 14.77 148
  158 1.98 20
  171 5.03 50
  200 15.77 158
  201 2.29 23
//