ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008037
RECORD_TITLE: 2-METHOXY-6-METHYLBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHOXY-6-METHYLBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: COc(c1)c(C(O)=O)c(C)cc1
CH$IUPAC: InChI=1S/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
CH$LINK: INCHIKEY MICCJGFEXKNBLU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20297798
AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-00ke-5900000000-e1e3c6e7581751117e37
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  37 0.47 5
  38 1.33 13
  39 6.66 67
  40 0.15 2
  41 1.36 14
  42 0.23 2
  43 1.22 12
  44 0.17 2
  45 0.59 6
  50 3.2 32
  51 9.61 96
  52 4.71 47
  53 2.28 23
  54 0.25 3
  55 0.74 7
  56 0.03 0
  57 0.12 1
  59 0.14 1
  60 0.21 2
  61 0.61 6
  62 1.86 19
  63 5 50
  64 1.45 15
  65 6.8 68
  66 1.08 11
  67 0.9 9
  68 0.2 2
  69 0.1 1
  71 0.02 0
  73 0.25 3
  74 3.32 33
  75 1.18 12
  76 1.35 14
  77 15.71 157
  78 7.69 77
  79 2.76 28
  80 0.28 3
  81 0.1 1
  86 0.4 4
  88 0.28 3
  89 5.1 51
  90 44.16 442
  91 22.58 226
  92 3.12 31
  93 2.1 21
  94 0.5 5
  95 0.7 7
  97 0.04 0
  103 0.41 4
  104 0.29 3
  105 20.94 209
  106 4.76 48
  107 1.6 16
  108 0.7 7
  109 0.3 3
  118 4.24 42
  119 12.04 120
  120 1.62 16
  121 2.17 22
  122 0.47 5
  123 0.62 6
  129 0.17 2
  131 0.14 1
  132 0.29 3
  133 2.06 21
  134 1.86 19
  135 2.02 20
  136 0.31 3
  137 0.59 6
  146 0.14 1
  147 4.53 45
  148 99.99 999
  149 22.19 222
  150 2.46 25
  151 1.02 10
  165 0.33 3
  166 55.88 559
  167 6.15 62
  168 0.74 7
//
