ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010543
RECORD_TITLE: 3,5-DIHYDROXYTOLUENE; 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$NAME: 3,5-DIHYDROXYTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O₂
CH$EXACT_MASS: 124.05243
CH$SMILES: Cc(c1)cc(O)cc(O)1
CH$IUPAC: InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
CH$LINK: CAS 504-15-4
CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060123

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$SPLASH: splash10-00di-6900000000-b7340c393f257aa2fce5
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 2 20
  28 1.97 20
  29 1.63 16
  38 1.06 11
  39 4.84 48
  40 1.45 15
  41 5.63 56
  42 1.29 13
  43 9.58 96
  50 1.5 15
  51 4.82 48
  52 2.14 21
  53 4.16 42
  54 1.02 10
  55 6.07 61
  61 1.19 12
  62 1.97 20
  63 1.6 16
  65 3.22 32
  66 3.36 34
  67 7.79 78
  69 7.08 71
  77 6.78 68
  78 5.76 58
  79 1.76 18
  81 4.21 42
  82 1.12 11
  83 1.22 12
  84 1.22 12
  85 1.92 19
  94 1.54 15
  95 14.16 142
  96 2.71 27
  105 2.42 24
  106 3.32 33
  107 7.14 71
  123 50.01 500
  124 99.99 999
  125 8.29 83
//