MassBank Record: JP004031

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ORTHO-ETHYLPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP004031
RECORD_TITLE: ORTHO-ETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-ETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.073160000000001446096575818955898284912109375
CH$SMILES: CCc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
CH$LINK: COMPTOX DTXSID1022479
CH$LINK: INCHIKEY IXQGCWUGDFDQMF-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a4i-3900000000-7fa4bcd5f96dd273eea0
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  18 1.8 18
  27 2 20
  38 1.6 16
  39 0.53 5
  41 1.4 14
  43 1.4 14
  45 1.5 15
  50 0.1 1
  51 4.2 42
  52 1.5 15
  53 2.1 21
  60 0.15 2
  61 1.5 15
  62 1.3 13
  63 2 20
  65 0.22 2
  77 18.1 181
  78 2.8 28
  79 8.1 81
  91 0.36 4
  94 1.8 18
  103 4.1 41
  104 1.5 15
  105 0.13 1
  107 99.99 999
  108 7.4 74
  120 3 30
  121 3.86 39
  122 3.1 31
//