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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000176

PARA TOLUALDEHYDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000176
RECORD_TITLE: PARA 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$NAME: PARA TOLUALDEHYDE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-01bc-9600000000-ce2e5bcb9aa7941f7f8b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 2.12 21
  29 1.06 11
  37 1.06 11
  38 2.47 25
  39 16.57 166
  40 1.41 14
  41 4.23 42
  43 1.76 18
  50 4.94 49
  51 7.62 76
  61 1.41 14
  62 3.88 39
  63 10.23 102
  64 1.97 20
  65 27.15 272
  66 1.76 18
  89 6.7 67
  90 3.17 32
  91 99.99 999
  92 8.82 88
  119 84.63 846
  120 70.52 705
  121 6 60
//

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