ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006839
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL TIGLATE
CH$NAME: ISOPROPYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CC=C(C)C(=O)OC(C)C
CH$IUPAC: InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
CH$LINK: INCHIKEY VUPBIVVRPJDWNW-FNORWQNLSA-N
CH$LINK: COMPTOX DTXSID70883746

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$SPLASH: splash10-0pec-9100000000-ea8fe43dfb7eb5b6fa12
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 2.97 30
  26 2.33 23
  27 39.85 399
  29 23.9 239
  31 1.19 12
  38 1.68 17
  39 31.46 315
  41 28.84 288
  42 4.96 50
  43 66.47 665
  44 2.15 22
  45 3.03 30
  50 1.76 18
  51 3.74 37
  52 1.83 18
  53 13.05 131
  54 12.97 130
  55 88.56 886
  56 10.53 105
  57 2.3 23
  59 22.66 227
  69 2.16 22
  82 14.13 141
  83 99.99 999
  84 12.16 122
  85 15.86 159
  99 1.78 18
  100 28.66 287
  101 27.24 272
  102 1.25 13
  127 16.03 160
  128 1.14 11
  142 8.51 85
//