ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006842
RECORD_TITLE: HEXYL 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$NAME: HEXYL TIGLATE
CH$NAME: HEXYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCCCOC(=O)C(C)=CC
CH$IUPAC: InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+
CH$LINK: INCHIKEY JTCIUOKKVACNCK-BJMVGYQFSA-N
CH$LINK: COMPTOX DTXSID5051783

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$SPLASH: splash10-0zgl-9200000000-758b3aef8fc0347ecb30
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  26 1.14 11
  27 25.09 251
  29 32.25 323
  39 18.64 186
  41 26.04 260
  42 13.2 132
  43 33.89 339
  45 1.88 19
  51 1.77 18
  52 1.17 12
  53 10.16 102
  54 8.94 89
  55 82.22 822
  56 28.75 288
  57 4.76 48
  69 9.21 92
  73 1.34 13
  82 4.64 46
  83 78.46 785
  84 12.59 126
  85 4.63 46
  99 1.32 13
  100 16.25 163
  101 99.99 999
  102 4.66 47
  111 1.79 18
//