ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008196
RECORD_TITLE: 4-HYDROXY-3-METHOXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXY-3-METHOXYBENZOIC ACID
CH$NAME: VANILLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₄
CH$EXACT_MASS: 168.04226
CH$SMILES: COc(c1)c(O)ccc(C(O)=O)1
CH$IUPAC: InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
CH$LINK: CAS 121-34-6
CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059522

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0gb9-2900000000-ccd8d4a214bc1a7f08c5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39 1.55 16
  41 1.75 18
  45 1.06 11
  50 1.58 16
  51 3.72 37
  52 3.81 38
  53 2.36 24
  55 1.35 14
  63 1.99 20
  65 2.08 21
  69 1.49 15
  77 1.47 15
  79 3.6 36
  80 1.56 16
  81 1.75 18
  92 1 10
  97 17.39 174
  107 1.73 17
  108 3.02 30
  119 1.23 12
  121 1.19 12
  123 3.5 35
  125 13.6 136
  137 2.6 26
  151 13.78 138
  152 1.35 14
  153 46.24 462
  154 4.83 48
  162 1.02 10
  168 99.99 999
  169 14.34 143
  170 1.6 16
//