ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000051
RECORD_TITLE: ISOPROPYL PARA 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$NAME: ISOPROPYL PARA TOLUATE
CH$NAME: PARA TOLUIC ACID ISOPROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(C)OC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
CH$LINK: INCHIKEY ONWRVKPIVJMSHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40282161

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$SPLASH: splash10-014i-5900000000-1f2d95620c2768a08500
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 2.66 27
  39 5 50
  41 6.46 65
  43 9.77 98
  51 1.21 12
  59 18.56 186
  63 2.1 21
  65 12.27 123
  89 2.66 27
  90 1.78 18
  91 43.18 432
  92 7.18 72
  93 1.21 12
  119 99.99 999
  120 14.37 144
  121 1.05 11
  136 42.62 426
  137 7.75 78
  163 2.5 25
  178 9.77 98
  179 0.89 9
//