ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000053
RECORD_TITLE: BUTYL META TOLUATE; 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$NAME: BUTYL META TOLUATE
CH$NAME: META TOLUIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCOC(=O)c(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C12H16O2/c1-3-4-8-14-12(13)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3
CH$LINK: INCHIKEY KECCQYFSODJESB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20216626

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014r-4900000000-da75d91b92d403dc111c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 2.33 23
  29 5.74 57
  39 4.98 50
  41 7.36 74
  51 1.25 13
  55 2.27 23
  56 9.2 92
  57 1.08 11
  63 2.27 23
  65 14.67 147
  77 1.08 11
  89 3.09 31
  90 2.54 25
  91 54.09 541
  92 9.8 98
  93 6.39 64
  118 1.19 12
  119 99.99 999
  120 9.53 95
  135 1.08 11
  136 78.02 780
  137 35.08 351
  138 2.71 27
  192 3.79 38
  193 0.43 4
//