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MassBank Record: JP008703

M-METHYLBENZALDEHYDE; EI-B; MS

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

ACCESSION: JP008703
RECORD_TITLE: M-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$NAME: M-METHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
CH$LINK: INCHIKEY OVWYEQOVUDKZNU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060717

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$SPLASH: splash10-01bc-9600000000-7f4acd144c76cb1a232a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 2.11 21
  29 5.7 57
  37 1.72 17
  38 3.57 36
  39 19.99 200
  40 1.08 11
  41 2.84 28
  50 6.75 68
  51 10.33 103
  52 2.23 22
  53 1.01 10
  61 2.16 22
  62 5.99 60
  63 16.09 161
  64 3.25 33
  65 28.36 284
  66 1.61 16
  74 2.32 23
  75 1.44 14
  77 1.08 11
  85 1.01 10
  86 1.44 14
  87 1.13 11
  89 10.2 102
  90 3.75 38
  91 99.99 999
  92 11.4 114
  119 86.15 862
  120 85.48 855
  121 6.29 63
//

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