ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000049
RECORD_TITLE: ETHYL 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$NAME: ETHYL PARA TOLUATE
CH$NAME: PARA TOLUIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CCOC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY NWPWRAWAUYIELB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5048211

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$SPLASH: splash10-014l-9200000000-17fcf8f438b04fd7f2bc
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 8.61 86
  26 7.28 73
  27 42.91 429
  29 35.76 358
  38 7.41 74
  39 61.59 616
  40 4.64 46
  41 14.04 140
  43 3.44 34
  45 3.18 32
  50 13.91 139
  51 20.66 207
  52 5.29 53
  53 3.25 33
  61 1.92 19
  62 9.34 93
  63 29.93 299
  64 8.34 83
  65 80.26 803
  66 4.11 41
  77 5.43 54
  89 13.91 139
  90 7.95 80
  91 93.44 934
  92 10.79 108
  119 99.99 999
  120 10.13 101
  136 15.89 159
  137 1.19 12
  149 1.52 15
  164 7.42 74
  165 0.93 9
//