ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000046
RECORD_TITLE: METHYL 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$NAME: METHYL ORTHO TOLUATE
CH$NAME: ORTHO TOLUIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: COC(=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3
CH$LINK: INCHIKEY WVWZECQNFWFVFW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6048208

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$SPLASH: splash10-014l-9600000000-9175dd93a78314d03e0f
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 5.96 60
  27 2.17 22
  29 2.42 24
  38 3.53 35
  39 23.73 237
  40 1.62 16
  41 4.29 43
  50 6.26 63
  51 11.56 116
  52 2.42 24
  53 1.62 16
  59 1.62 16
  61 1.56 16
  62 6.51 65
  63 19.28 193
  64 5.55 56
  65 41.54 415
  66 2.02 20
  77 12.01 120
  79 8.48 85
  89 17.67 177
  90 31.3 313
  91 99.99 999
  92 7.98 80
  105 3.94 39
  118 63.5 635
  119 98.33 983
  120 8.38 84
  135 7.02 70
  149 1.46 15
  150 37.41 374
  151 3.89 39
//