ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006402
RECORD_TITLE: UNDECYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: UNDECYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY DPMDQRRFSVRUMR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00203039

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$SPLASH: splash10-0596-9000000000-c3360e532db775ef7f9f
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  27 18.15 182
  28 3.22 32
  29 24.07 241
  31 1.17 12
  39 8.09 81
  40 2 20
  41 54.85 549
  42 18.57 186
  43 99.99 999
  44 3.52 35
  45 1.01 10
  53 2.92 29
  54 4.9 49
  55 41.74 417
  56 29.12 291
  57 35.71 357
  58 1.79 18
  60 3.86 39
  61 2.21 22
  67 4.65 47
  68 8.45 85
  69 25.83 258
  70 30.08 301
  71 74.07 741
  72 3.09 31
  73 2.13 21
  81 1.31 13
  82 9.2 92
  83 23.83 238
  84 18.17 182
  85 5.88 59
  86 1.24 12
  88 5.51 55
  89 69.72 697
  90 2.66 27
  96 3.4 34
  97 19.19 192
  98 8.43 84
  99 1.69 17
  101 1.24 12
  111 7.92 79
  112 3.28 33
  125 2.98 30
  126 6.67 67
  144 1.73 17
  154 6.98 70
  155 1.06 11
//