ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007089
RECORD_TITLE: ISOBUTYL 2-METHYLBUTYRATE; 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$NAME: ISOBUTYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCC(C)C(=O)OCC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
CH$LINK: CAS 2445-67-2
CH$LINK: INCHIKEY NWZQCEQAPBRMFX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20862945

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$SPLASH: splash10-0a4i-9100000000-51b1e6cba3f9da42b5ad
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 10.59 106
  29 25.52 255
  39 9.15 92
  41 34.96 350
  42 2.33 23
  43 4.66 47
  55 4.92 49
  56 37.7 377
  57 99.99 999
  58 4.71 47
  73 2.17 22
  74 10.19 102
  85 66.57 666
  86 2.98 30
  87 4.51 45
  102 2.13 21
  103 29 290
  104 1.4 14
  115 2.16 22
  130 3.79 38
//