ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007199
RECORD_TITLE: BUTYL DECANOATE; 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$NAME: BUTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3
CH$LINK: COMPTOX DTXSID4067565
CH$LINK: INCHIKEY ZRNCNTSXSYXHOW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:35408

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$SPLASH: splash10-0a4i-9200000000-15bec7cf55b2a95aaeb0
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  27 12.22 122
  29 31.47 315
  31 1.21 12
  39 7.74 77
  41 46.44 464
  42 9.32 93
  43 35.91 359
  45 1.14 11
  53 1.81 18
  54 1.67 17
  55 25.04 250
  56 99.99 999
  57 41.65 417
  58 1.53 15
  60 28.55 286
  61 12.11 121
  67 2.18 22
  68 2.21 22
  69 11.48 115
  70 2.46 25
  71 14.26 143
  73 23.56 236
  74 2.12 21
  81 2.39 24
  82 1.04 10
  83 5.99 60
  84 4.58 46
  85 6.52 65
  87 5.64 56
  89 1.49 15
  95 2.16 22
  97 3.4 34
  98 3.97 40
  101 5.81 58
  103 1.35 14
  110 1.28 13
  111 1.42 14
  115 2.34 23
  116 7.84 78
  117 1.95 20
  129 12.77 128
  130 1.02 10
  143 1.64 16
  155 30.27 303
  156 3.09 31
  172 4.57 46
  173 45.08 451
  174 5.27 53
  185 1.32 13
  228 1.26 13
//