MassBank Record: JP008702

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O-METHYLBENZALDEHYDE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP008702
RECORD_TITLE: O-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$NAME: O-METHYLBENZALDEHYDE
CH$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

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$SPLASH: splash10-00r6-9700000000-72d2bc27d082e353fdb5
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 1.83 18
  29 3.68 37
  37 1.36 14
  38 3.12 31
  39 16.24 162
  41 1.68 17
  50 5.5 55
  51 7.31 73
  52 1.61 16
  53 1.23 12
  60 1.15 12
  61 2.22 22
  62 5.6 56
  63 15.4 154
  64 3.07 31
  65 24.34 243
  66 1.52 15
  74 2.17 22
  75 1.2 12
  77 1.53 15
  86 1.41 14
  87 1.06 11
  89 8.08 81
  90 4.37 44
  91 99.99 999
  92 11.14 111
  119 86.03 860
  120 89.03 890
  121 6.65 67
//