ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000048
RECORD_TITLE: ETHYL ORTHO 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$NAME: ETHYL ORTHO TOLUATE
CH$NAME: ORTHO TOLUIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CCOC(=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY SOUAXOGPALPTTC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4040711

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$SPLASH: splash10-014l-8900000000-460ffe9149b6d2bc5e2b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 4.21 42
  29 4.11 41
  39 11.58 116
  41 3.16 32
  50 2 20
  51 5.26 53
  62 2 20
  63 8.95 90
  64 2.11 21
  65 33.68 337
  66 1.05 11
  77 8.42 84
  79 10.42 104
  89 11.26 113
  90 30 300
  91 84.53 845
  92 7.05 71
  105 2.63 26
  118 77.68 777
  119 99.99 999
  120 10.84 108
  135 18.95 190
  136 8.32 83
  149 4.74 47
  164 26.32 263
  165 2.63 26
//