ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006840
RECORD_TITLE: ISOBUTYL TIGLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL TIGLATE
CH$NAME: ISOBUTYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CC=C(C)C(=O)OCC(C)C
CH$IUPAC: InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+
CH$LINK: INCHIKEY XDEGQMQKHFPBEW-VMPITWQZSA-N
CH$LINK: COMPTOX DTXSID90886456

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$SPLASH: splash10-0pc0-9100000000-3aeed03378ccb49d88a8
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  26 1.17 12
  27 21.33 213
  29 28.68 287
  39 19.12 191
  41 20.06 201
  42 1.36 14
  43 4.99 50
  45 1.2 12
  51 1.77 18
  52 1.15 12
  53 8.87 89
  54 6.02 60
  55 66.75 668
  56 27.88 279
  57 11.43 114
  73 1.4 14
  82 2.33 23
  83 99.99 999
  84 5.74 57
  85 2.28 23
  100 4.93 49
  101 54.09 541
  102 2.36 24
//