ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010785
RECORD_TITLE: 2,5-DIHYDROXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 2,5-DIHYDROXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₄
CH$EXACT_MASS: 154.02661
CH$SMILES: Oc(c1)cc(C(O)=O)c(O)c1
CH$IUPAC: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060078

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0f79-7900000000-20ee71dd59e0987ea16e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  42 1.24 12
  45 2.65 27
  50 4.55 46
  51 9.42 94
  52 30.23 302
  53 18.76 188
  54 10.36 104
  55 4.77 48
  61 1.52 15
  62 2.32 23
  63 3.04 30
  68 1.22 12
  69 3.27 33
  79 5.12 51
  80 32.68 327
  81 5.81 58
  82 11.68 117
  107 3.28 33
  108 28.87 289
  109 3.43 34
  110 1.73 17
  135 3.5 35
  136 99.99 999
  137 9.63 96
  138 1.05 11
  154 32.4 324
  155 2.64 26
//