ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009066
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL 2-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCC(CC)C(=O)OCC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-5-9(6-2)10(11)12-7-8(3)4/h8-9H,5-7H2,1-4H3
CH$LINK: COMPTOX DTXSID4073629
CH$LINK: INCHIKEY SAWRJLRKAZYKPM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:95554

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$SPLASH: splash10-0597-9100000000-e7c7a670d084df982638
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 1.12 11
  26 1.12 11
  27 28.03 280
  29 47.78 478
  31 1.87 19
  39 22.02 220
  40 1.3 13
  41 65.9 659
  42 10.78 108
  43 91.12 911
  44 3.04 30
  45 2.54 25
  53 3.38 34
  55 25.83 258
  56 68.37 684
  57 65.25 653
  58 3.03 30
  69 4.1 41
  70 7.75 78
  71 99.99 999
  72 6.31 63
  73 9.9 99
  87 17.48 175
  88 33.72 337
  89 3.8 38
  99 94.48 945
  100 6.42 64
  101 3.44 34
  116 2.54 25
  117 64.46 645
  118 4.31 43
  129 1.32 13
  144 8.46 85
//