ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004986
RECORD_TITLE: P-TOLUALDEHYDE; 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$NAME: P-TOLUALDEHYDE
CH$NAME: 4-METHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
CH$LINK: INCHIKEY FXLOVSHXALFLKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041520

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$SPLASH: splash10-01bc-8900000000-cc469f3657d6fab4bdef
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  43 0.94 9
  45 1.2 12
  50 5.08 51
  51 8.01 80
  52 1.56 16
  59 2.38 24
  61 1.84 18
  62 4.09 41
  63 10.66 107
  64 2.44 24
  65 22.97 230
  66 1.39 14
  74 1.45 15
  75 1.03 10
  77 1.1 11
  86 1.14 11
  89 7.19 72
  90 3.6 36
  91 98.26 983
  92 9.41 94
  119 99.99 999
  120 84.24 842
  121 7.23 72
//