ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007231
RECORD_TITLE: 3,4-DIHYDROXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3,4-DIHYDROXYBENZOIC ACID
CH$NAME: PROTOCATECHUIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₄
CH$EXACT_MASS: 154.02661
CH$SMILES: OC(=O)c(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
CH$LINK: CAS 99-50-3
CH$LINK: INCHIKEY YQUVCSBJEUQKSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021212

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0gb9-9800000000-f08a8e55f19d388091c0
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  17 13.9 139
  18 96.4 964
  27 5.1 51
  28 0.51 5
  39 2.6 26
  43 3.6 36
  44 5.1 51
  51 0.1 1
  52 6.7 67
  53 4.1 41
  55 6.7 67
  57 0.87 9
  63 7.2 72
  64 6.2 62
  71 1.5 15
  79 0.21 2
  80 0.5 5
  81 11.8 118
  97 3.6 36
  108 0.1 1
  109 23.6 236
  110 20 200
  111 1.5 15
  137 8.72 87
  138 7.2 72
  154 99.99 999
  155 8.2 82
//