ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008789
RECORD_TITLE: MESITYLALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: MESITYLALDEHYDE
CH$NAME: 2,4,6-TRIMETHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O
CH$EXACT_MASS: 148.08882
CH$SMILES: O=Cc(c(C)1)c(C)cc(C)c1
CH$IUPAC: InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
CH$LINK: CAS 487-68-3
CH$LINK: INCHIKEY HIKRJHFHGKZKRI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5052125

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0002-5900000000-65fb57ab90261d73ba23
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  38 3.27 33
  39 18.31 183
  40 3.3 33
  41 12.04 120
  50 5.88 59
  51 15.47 155
  52 4.85 49
  53 5.87 59
  57 2.48 25
  61 1.3 13
  62 2.95 30
  63 9.57 96
  64 2.74 27
  65 10.38 104
  66 2.45 25
  73 2.24 22
  74 2.77 28
  75 2.57 26
  76 1.67 17
  77 19.61 196
  78 7.92 79
  79 7.35 74
  89 3.44 34
  91 29.57 296
  92 2.51 25
  93 2.46 25
  102 2.41 24
  103 8.93 89
  104 4.77 48
  105 19.56 196
  106 2.45 25
  115 8.91 89
  116 2.54 25
  117 9.91 99
  119 71.45 715
  120 10.38 104
  147 99.99 999
  148 72.22 722
  149 6.73 67
//