MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000532

4-HYDROXY-3-METHOXYBENZALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000532
RECORD_TITLE: 4-HYDROXY-3-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$NAME: 4-HYDROXY-3-METHOXYBENZALDEHYDE
CH$NAME: VANILLIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: O=Cc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
CH$LINK: INCHIKEY MWOOGOJBHIARFG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021969

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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$SPLASH: splash10-0udi-1900000000-46e0edb3260b8896145e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  52 1.19 12
  53 2.31 23
  55 1.15 12
  65 2.73 27
  67 1.41 14
  77 1.94 19
  80 1.2 12
  81 11.52 115
  93 1.06 11
  95 1.06 11
  108 3.65 37
  109 11.87 119
  123 10.23 102
  124 1.49 15
  137 4.63 46
  151 77.21 772
  152 99.99 999
  153 10.1 101
  154 1.08 11
//