ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011920
RECORD_TITLE: METHYL 2,4-DIHYDROXY-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$NAME: METHYL 2,4-DIHYDROXY-6-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₄
CH$EXACT_MASS: 182.05791
CH$SMILES: COC(=O)c(c(C)1)c(O)cc(O)c1
CH$IUPAC: InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3
CH$LINK: INCHIKEY NCCWCZLEACWJIN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2062901

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$SPLASH: splash10-0udi-3900000000-d351d3a1c60f50c4becb
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.02 10
  27 1.79 18
  28 1.06 11
  29 1.53 15
  38 1.19 12
  39 7.51 75
  40 1.77 18
  41 3.75 38
  43 2.14 21
  50 2.25 23
  51 4.49 45
  52 1.76 18
  53 6.4 64
  55 3.59 36
  62 1.15 12
  63 2.11 21
  64 1.05 11
  65 8.17 82
  66 11.55 116
  67 4.69 47
  69 11.92 119
  77 3.02 30
  79 1.25 13
  81 1.11 11
  91 1.08 11
  93 2.74 27
  94 14.24 142
  95 2.98 30
  109 2.52 25
  121 7.6 76
  122 54.35 544
  123 5.11 51
  150 99.99 999
  151 42.32 423
  152 4.05 41
  153 1.05 11
  182 52.98 530
  183 8.65 87
  184 1.74 17
//