ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009202
RECORD_TITLE: UNDECANOIC 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$NAME: UNDECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
CH$LINK: INCHIKEY ZDPHROOEEOARMN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021690

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$SPLASH: splash10-0706-9000000000-d7f6a00a2bcfd58539f5
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 1.05 11
  26 1.22 12
  27 33.2 332
  28 4.37 44
  29 46.33 463
  30 1.02 10
  31 2.05 21
  39 20.36 204
  40 2.59 26
  41 76.89 769
  42 16.45 165
  43 69.96 700
  44 1.48 15
  45 12.93 129
  53 3.53 35
  54 3.25 33
  55 48.08 481
  56 11.69 117
  57 35.42 354
  58 1.28 13
  59 3.29 33
  60 99.99 999
  61 15.71 157
  67 3.12 31
  68 2.33 23
  69 20.75 208
  70 6.77 68
  71 28.85 289
  72 1.4 14
  73 90.02 900
  74 7.38 74
  81 1.73 17
  82 2.29 23
  83 10.33 103
  84 7.63 76
  85 16 160
  86 1.01 10
  87 13.35 134
  88 1.44 14
  96 1.1 11
  97 6.6 66
  98 3.84 38
  101 5.74 57
  111 1.06 11
  115 6.58 66
  124 2.15 22
  126 2.91 29
  127 1.25 13
  129 15.32 153
  130 1.23 12
  143 12.16 122
  157 2.03 20
  186 6 60
//