ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006988
RECORD_TITLE: BUTYL HEXANOATE; 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$NAME: BUTYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY RPRPDTXKGSIXMD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060824

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$SPLASH: splash10-0ar4-9100000000-a9080f56e2b36fd03d56
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  26 1.58 16
  27 28.4 284
  29 46.21 462
  30 1.16 12
  31 2.08 21
  39 16.18 162
  41 57.58 576
  42 15.22 152
  43 67.88 679
  44 1.7 17
  45 2.79 28
  53 2.09 21
  54 1.06 11
  55 21.55 216
  56 99.99 999
  57 32.57 326
  58 1.32 13
  60 29.96 300
  61 9.75 98
  69 5.9 59
  70 4.56 46
  71 28.25 283
  72 1.55 16
  73 20.89 209
  74 2.19 22
  75 1.91 19
  83 1.18 12
  86 1.19 12
  87 10.5 105
  89 4.67 47
  97 1.23 12
  99 85.97 860
  100 5.94 59
  101 3.19 32
  116 8.47 85
  117 75.06 751
  118 5.06 51
  129 1.98 20
//