ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009197
RECORD_TITLE: NONANOIC 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$NAME: NONANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021641

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$SPLASH: splash10-08ml-9000000000-f9b45b786372be8b75d6
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  14 1.19 12
  27 21.56 216
  28 2.48 25
  29 24.31 243
  30 1.48 15
  31 1.56 16
  39 12.15 122
  40 1.74 17
  41 42.02 420
  42 8.78 88
  43 31.52 315
  44 1.27 13
  45 15.73 157
  51 1.26 13
  53 2.92 29
  54 2.14 21
  55 28.92 289
  56 8.46 85
  57 49.22 492
  58 2.74 27
  59 3.47 35
  60 99.99 999
  61 10.87 109
  67 2.11 21
  68 1.76 18
  69 12.78 128
  70 4.93 49
  71 2.18 22
  73 74.92 749
  74 5.45 55
  81 1.94 19
  83 4.72 47
  84 3.96 40
  85 1.14 11
  87 8.8 88
  88 1.01 10
  89 1.08 11
  96 3.43 34
  97 2.57 26
  98 11.75 118
  99 3.71 37
  101 4.81 48
  102 1.29 13
  115 18.45 185
  116 1.96 20
  129 14.14 141
  130 1.17 12
  158 4.18 42
//