ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008256
RECORD_TITLE: DIMETHYL 3-HYDROXYPHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL 3-HYDROXYPHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₅
CH$EXACT_MASS: 210.05282
CH$SMILES: COC(=O)c(c1)c(C(=O)OC)c(O)cc1
CH$IUPAC: InChI=1S/C10H10O5/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5,11H,1-2H3
CH$LINK: INCHIKEY BQGDDMMXPRJQHZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80481212

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-004i-3910000000-3aeb05827c94a5ff1004
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 6.14 61
  29 1.56 16
  39 2.92 29
  51 1.24 12
  52 1.32 13
  53 2.53 25
  59 1.28 13
  62 2.7 27
  63 7.61 76
  64 1.79 18
  65 6.52 65
  69 1.01 10
  80 1.8 18
  92 4.56 46
  93 6.18 62
  95 1.81 18
  107 1.04 10
  108 5.21 52
  119 2.21 22
  120 2.83 28
  121 2.94 29
  136 3.39 34
  149 5.62 56
  151 6.3 63
  152 0.99 10
  179 99.99 999
  180 10.38 104
  181 1.94 19
  210 23.46 235
  211 2.45 25
//