ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004989
RECORD_TITLE: P-TOLUALDEHYDE DIMETHYLACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: P-TOLUALDEHYDE DIMETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: COC(OC)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C10H14O2/c1-8-4-6-9(7-5-8)10(11-2)12-3/h4-7,10H,1-3H3
CH$LINK: CAS 3395-83-3
CH$LINK: INCHIKEY MKZGLAOLSFUPRT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7063009

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-000i-4900000000-1dc8523d33d3e53f1779
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  47 1.78 18
  50 1 10
  51 2.41 24
  59 3.31 33
  63 2.33 23
  65 6.67 67
  74 1.21 12
  75 10.17 102
  77 1.81 18
  79 1.75 18
  89 1.69 17
  90 0.92 9
  91 23.14 231
  92 3.01 30
  105 3.55 36
  119 12.13 121
  120 3.83 38
  135 99.99 999
  136 10.21 102
  165 1.03 10
  166 3.14 31
//