ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007230
RECORD_TITLE: 2,4-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$NAME: 2,4-DIHYDROXYBENZOIC ACID
CH$NAME: BETA-RESORCYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₄
CH$EXACT_MASS: 154.02661
CH$SMILES: Oc(c1)cc(O)c(c1)C(O)=O
CH$IUPAC: InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
CH$LINK: CAS 89-86-1
CH$LINK: INCHIKEY UIAFKZKHHVMJGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0025074

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$SPLASH: splash10-0f79-5900000000-f66892920391d049309d
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  17 2 20
  18 20.9 209
  27 8.2 82
  28 0.15 2
  39 16.8 168
  41 2.6 26
  42 1 10
  43 0.41 4
  44 23 230
  51 9.7 97
  52 16.3 163
  53 1.07 11
  54 3.1 31
  55 7.1 71
  57 4.6 46
  63 0.36 4
  64 2.6 26
  66 1.5 15
  68 2 20
  69 1.79 18
  70 2.6 26
  71 2.6 26
  79 4.1 41
  80 2.6 26
  81 15.8 158
  82 9.7 97
  95 21.9 219
  97 0.1 1
  107 6.1 61
  108 65.3 653
  109 6.1 61
  110 7.65 77
  111 4.1 41
  136 99.99 999
  137 19.9 199
  138 0.1 1
  154 90.8 908
  155 7.1 71
//