ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010334
RECORD_TITLE: META-HYDROXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META-HYDROXYBENZOIC ACID
CH$NAME: 3-HYDROXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₃
CH$EXACT_MASS: 138.03169
CH$SMILES: OC(=O)c(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021610

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-000i-9500000000-d9aa814a2f50d1d836f5
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  25 1.04 10
  26 3.48 35
  27 5.85 59
  29 8.11 81
  31 1.86 19
  37 8.12 81
  38 16.65 167
  39 44.51 445
  40 4.13 41
  41 1.15 12
  42 1.59 16
  43 1.26 13
  45 16.52 165
  46 2.25 23
  49 2.1 21
  50 7.31 73
  51 4.52 45
  52 1.35 14
  53 14.22 142
  54 1.64 16
  55 6.52 65
  60 1.42 14
  61 6.18 62
  62 10.96 110
  63 22.79 228
  64 10.09 101
  65 41.27 413
  66 7.95 80
  67 1.13 11
  69 1.19 12
  73 1.1 11
  74 3.57 36
  75 2.04 20
  77 1.09 11
  81 5.1 51
  82 1.3 13
  92 6.97 70
  93 39.6 396
  94 3.29 33
  95 1.04 10
  110 3.08 31
  120 1.95 20
  121 80.52 805
  122 6.3 63
  138 99.99 999
  139 9.03 90
//