ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009200
RECORD_TITLE: DECANOIC 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$NAME: DECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021554

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$SPLASH: splash10-076u-9000000000-96a2e9e00e464db3c086
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  26 1.07 11
  27 26.69 267
  28 2.43 24
  29 34.77 348
  31 1.59 16
  39 18.15 182
  40 2.83 28
  41 59.41 594
  42 13.4 134
  43 48.27 483
  44 1.24 12
  45 12.72 127
  53 5.07 51
  54 3.18 32
  55 39.19 392
  56 9.35 94
  57 41.47 415
  58 1.64 16
  59 3.58 36
  60 99.99 999
  61 15.44 154
  67 3.09 31
  68 2.26 23
  69 18.25 183
  70 7.7 77
  71 32.42 324
  72 1.48 15
  73 87.57 876
  74 7.38 74
  81 1.62 16
  82 1.77 18
  83 10.46 105
  84 6.09 61
  87 12.63 126
  88 1.05 11
  97 3.45 35
  98 3.53 35
  101 4.65 47
  110 4.16 42
  111 1.03 10
  112 7.49 75
  113 2.16 22
  115 7.51 75
  129 29.66 297
  130 1.88 19
  143 4.27 43
  172 6.04 60
//