ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006401
RECORD_TITLE: DECYL 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$NAME: DECYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3
CH$LINK: INCHIKEY PUCQHFICPFUPKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4063903

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$SPLASH: splash10-0596-9000000000-0df1e256ba0a8d996fad
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  16 1.25 13
  27 18.98 190
  28 4.9 49
  29 24.42 244
  31 1.2 12
  39 8.37 84
  40 1.51 15
  41 51.3 513
  42 20.46 205
  43 99.99 999
  44 3.25 33
  45 1.15 12
  53 2.27 23
  54 4.96 50
  55 37.52 375
  56 34.52 345
  57 30.39 304
  58 2.08 21
  60 3.87 39
  61 2.35 24
  67 3.69 37
  68 7.17 72
  69 24.83 248
  70 34.39 344
  71 76.41 764
  72 3.28 33
  73 2.15 22
  81 1.39 14
  82 7.92 79
  83 23.65 237
  84 17.29 173
  85 6.99 70
  86 1.22 12
  88 5.32 53
  89 66.35 664
  90 2.66 27
  96 2.45 25
  97 14.57 146
  98 8.67 87
  99 1.38 14
  101 1.5 15
  110 1.26 13
  111 7.74 77
  112 9.33 93
  113 1.01 10
  140 10.38 104
  141 1.26 13
  144 1.9 19
//