ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006836
RECORD_TITLE: METHYL 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$NAME: METHYL TIGLATE
CH$NAME: METHYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CC=C(C)C(=O)OC
CH$IUPAC: InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
CH$LINK: INCHIKEY YYJWBYNQJLBIGS-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID30878830

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$SPLASH: splash10-0a7i-9100000000-654c14d45a8ceb8fb418
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 12.91 129
  26 3.22 32
  27 30.32 303
  29 23.88 239
  30 1.33 13
  31 1.21 12
  38 2.37 24
  39 24.64 246
  41 3.83 38
  42 1 10
  43 6.21 62
  45 1.74 17
  50 4.9 49
  51 7.3 73
  52 2.91 29
  53 17.01 170
  54 14.53 145
  55 99.99 999
  56 5.47 55
  59 11.95 120
  69 1.52 15
  71 1.98 20
  81 1.5 15
  82 10.59 106
  83 50.18 502
  84 2.46 25
  99 12.81 128
  114 40.85 409
  115 2.48 25
//