ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000175
RECORD_TITLE: META TOLUALDEHYDE; 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$NAME: META TOLUALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
CH$LINK: INCHIKEY OVWYEQOVUDKZNU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060717
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$SPLASH: splash10-00r6-9400000000-378d825b08edd9bccec3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 1.99 20
  29 1.39 14
  37 1.19 12
  38 2.89 29
  39 18.06 181
  40 1.49 15
  41 3.78 38
  43 1.09 11
  45 1 10
  50 5.42 54
  51 8.96 90
  61 1.64 16
  62 4.43 44
  63 11.04 110
  64 2.49 25
  65 27.86 279
  66 1.59 16
  77 1.39 14
  89 5.77 58
  90 2.99 30
  91 99.99 999
  92 8.96 90
  119 52.94 529
  120 50.45 505
  121 4.48 45
//
