ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010903
RECORD_TITLE: BUTYL 2-ETHYLBUTYRATE; 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$NAME: BUTYL 2-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCOC(=O)C(CC)CC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-8-12-10(11)9(5-2)6-3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY YARHPYLJZOUSGU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60199287

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$SPLASH: splash10-05vo-9100000000-bc3d3697dbf2b8578b08
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  26 1.7 17
  27 29.4 294
  29 56.6 566
  30 1.2 12
  31 1.5 15
  39 18 180
  41 59.3 593
  42 9.8 98
  43 88.6 886
  44 3.1 31
  45 3.8 38
  53 3.4 34
  54 1.1 11
  55 27.7 277
  56 45.2 452
  57 37.5 375
  58 1.3 13
  59 1 10
  69 3.8 38
  70 8.5 85
  71 89.6 896
  72 5.3 53
  73 14.1 141
  87 23.8 238
  88 36 360
  89 8.2 82
  99 62.2 622
  100 4.2 42
  101 6.3 63
  116 1.5 15
  117 99.99 999
  118 7 70
  143 1.7 17
  144 11.3 113
//