ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010520
RECORD_TITLE: METHYL 4-HYDROXY-2-METHOXY-3,5,6-TRIMETHYLBENZOATE; 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$NAME: METHYL 4-HYDROXY-2-METHOXY-3,5,6-TRIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₄
CH$EXACT_MASS: 224.10486
CH$SMILES: COC(=O)c(c(C)1)c(OC)c(C)c(O)c(C)1
CH$IUPAC: InChI=1S/C12H16O4/c1-6-7(2)10(13)8(3)11(15-4)9(6)12(14)16-5/h13H,1-5H3
CH$LINK: CAS 34874-83-4
CH$LINK: INCHIKEY UCGSEFPFVKCJLI-UHFFFAOYSA-N

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$SPLASH: splash10-0006-6910000000-b89ee6cbefbb54519e5e
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  14 1.75 18
  15 15.68 157
  17 1.18 12
  27 5.41 54
  28 20.86 209
  29 4.91 49
  30 1.02 10
  31 2.96 30
  32 5.11 51
  33 1.38 14
  39 8.25 83
  40 1.53 15
  41 4.3 43
  43 5.46 55
  45 2.83 28
  50 1.56 16
  51 5.12 51
  52 2.61 26
  53 6.25 63
  54 1.1 11
  55 4.43 44
  59 2.42 24
  63 3.77 38
  64 1.45 15
  65 7.24 72
  66 2.93 29
  67 8.02 80
  77 13.52 135
  78 4.25 43
  79 8.18 82
  80 1.12 11
  81 1.6 16
  83 4.65 47
  89 1.79 18
  91 18.05 181
  92 3.3 33
  93 5.47 55
  94 1.85 19
  95 1 10
  98 2.11 21
  103 2.47 25
  104 1.22 12
  105 4.51 45
  106 1.12 11
  107 7.64 76
  108 1.12 11
  109 1.1 11
  115 1.07 11
  119 2.41 24
  120 2.05 21
  121 8.55 86
  122 3.44 34
  123 1.2 12
  133 1.93 19
  134 12.06 121
  135 7.93 79
  136 3.09 31
  137 2.35 24
  146 3.66 37
  147 2.26 23
  148 1.99 20
  149 12.37 124
  150 13.36 134
  151 2.65 27
  162 1.05 11
  163 11.54 115
  164 3.63 36
  165 4.78 48
  166 1.96 20
  175 1.79 18
  176 1.42 14
  177 12.58 126
  178 5.67 57
  179 2.15 22
  191 4.08 41
  192 21.47 215
  193 99.99 999
  194 12.39 124
  195 2.13 21
  207 2.98 30
  209 1.73 17
  223 1.96 20
  224 47.9 479
  225 6.55 66
//