ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008704
RECORD_TITLE: P-METHYLBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: P-METHYLBENZALDEHYDE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-01bc-9700000000-ff0e14ae428ad7d54394
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 2.25 23
  29 5.74 57
  37 1.35 14
  38 3.6 36
  39 19.58 196
  40 1 10
  41 2.66 27
  50 8.16 82
  51 10.62 106
  52 1.86 19
  53 1.06 11
  61 2.28 23
  62 7.39 74
  63 15.9 159
  64 3.21 32
  65 26.42 264
  66 1.6 16
  74 2.3 23
  75 1.47 15
  77 1.29 13
  86 1.41 14
  87 1.04 10
  89 9.79 98
  90 3.82 38
  91 92.09 921
  92 10.76 108
  119 99.99 999
  120 82.84 828
  121 7.59 76
//