MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000174

ORTHO TOLUALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000174
RECORD_TITLE: ORTHO 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

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CH$NAME: ORTHO TOLUALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
CH$LINK: INCHIKEY BTFQKIATRPGRBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1022051

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00r6-9500000000-7839fe7727fd4eead2bf
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 2.53 25
  29 1.27 13
  37 1.27 13
  38 2.85 29
  39 17.09 171
  40 1.39 14
  41 4.43 44
  43 2.53 25
  44 2.85 29
  50 4.81 48
  51 8.1 81
  61 1.58 16
  62 3.8 38
  63 10.38 104
  64 2.22 22
  65 26.27 263
  66 1.9 19
  77 1.9 19
  89 6.52 65
  90 3.61 36
  91 99.99 999
  92 9.75 98
  119 65.7 657
  120 70.25 703
  121 6.14 61
//