ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011916
RECORD_TITLE: METHYL 4-HYDROXY-2-METHOXY-6-METHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 4-HYDROXY-2-METHOXY-6-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄
CH$EXACT_MASS: 196.07356
CH$SMILES: COC(=O)c(c(C)1)c(OC)cc(O)c1
CH$IUPAC: InChI=1S/C10H12O4/c1-6-4-7(11)5-8(13-2)9(6)10(12)14-3/h4-5,11H,1-3H3
CH$LINK: INCHIKEY ZGYSDRFXXJOWGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70634755

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$SPLASH: splash10-014i-3900000000-3f5671ad133f2fd19213
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  15 8.81 88
  18 1.36 14
  27 1.59 16
  29 4.23 42
  30 1.06 11
  31 1.58 16
  39 1.3 13
  40 7.13 71
  41 1.46 15
  42 1.15 12
  44 2.03 20
  46 1.14 11
  51 2.36 24
  52 4.54 45
  53 2.21 22
  54 4.9 49
  56 1.51 15
  59 1.2 12
  62 1.48 15
  63 2.95 30
  64 1.29 13
  65 5.82 58
  66 6.21 62
  67 1.94 19
  69 5.4 54
  77 7.56 76
  78 2.43 24
  79 2.79 28
  81 1.2 12
  93 2.35 24
  94 3.92 39
  95 1.04 10
  106 3.14 31
  107 6.26 63
  108 1.06 11
  109 1.6 16
  121 6.96 70
  122 9.98 100
  123 1.06 11
  134 1.28 13
  135 5.5 55
  136 1.56 16
  137 1.76 18
  138 2.13 21
  139 1.3 13
  150 4.67 47
  151 1.39 14
  163 2.13 21
  164 24.5 245
  165 99.99 999
  166 10.18 102
  167 2.11 21
  179 1.26 13
  181 1.18 12
  196 35.38 354
  197 4.05 41
//