MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000534

4-METHOXYBENZALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000534
RECORD_TITLE: 4-METHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 4-METHOXYBENZALDEHYDE
CH$NAME: AN1SALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: O=Cc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
CH$LINK: INCHIKEY ZRSNZINYAWTAHE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026997

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-000i-5900000000-f3f464cd23c97578f30c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39 12.31 123
  51 3.8 38
  64 9.12 91
  65 17.66 177
  77 48.22 482
  78 8.21 82
  92 28.11 281
  93 1.18 12
  107 18.32 183
  118 1.08 11
  134 4.12 41
  135 99.99 999
  136 80.36 804
  137 8.98 90
//