ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008039
RECORD_TITLE: 6-METHYLSALICYLIC 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$NAME: 6-METHYLSALICYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)c(c(C)1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
CH$LINK: INCHIKEY HCJMNOSIAGSZBM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20205257

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$SPLASH: splash10-0kai-5900000000-aba68ee6dffda3922de1
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
  35 0.28 3
  37 1.15 12
  38 2.64 26
  39 10.16 102
  40 0.46 5
  41 2.51 25
  42 0.38 4
  43 1.98 20
  44 0.87 9
  45 1.03 10
  46 0.21 2
  47 0.55 6
  48 0.29 3
  49 0.53 5
  50 4.48 45
  51 11.1 111
  52 7.53 75
  53 4.43 44
  54 0.61 6
  55 2.18 22
  56 1.06 11
  57 3.17 32
  58 0.26 3
  59 1.59 16
  60 0.69 7
  61 1.18 12
  62 2.27 23
  63 4.43 44
  64 1.02 10
  65 1.42 14
  66 1.47 15
  67 2.88 29
  68 0.43 4
  69 1.57 16
  70 0.81 8
  71 1.74 17
  72 0.13 1
  73 0.94 9
  74 1.57 16
  75 1.71 17
  76 2.23 22
  77 17.39 174
  78 30.56 306
  79 4.75 48
  80 0.45 5
  81 0.86 9
  82 0.48 5
  83 2.25 23
  84 0.47 5
  85 1.54 15
  86 0.42 4
  87 0.46 5
  88 0.19 2
  89 0.95 10
  90 0.6 6
  91 0.92 9
  92 0.33 3
  93 0.47 5
  94 0.24 2
  95 0.96 10
  96 0.46 5
  97 1.03 10
  98 0.38 4
  99 0.56 6
  100 0.15 2
  101 0.24 2
  102 0.14 1
  103 0.2 2
  104 0.8 8
  105 33.65 337
  106 41.21 412
  107 5.28 53
  108 1.89 19
  109 0.6 6
  110 0.36 4
  111 0.69 7
  112 0.37 4
  113 0.49 5
  114 0.14 1
  115 0.21 2
  116 0.29 3
  117 0.25 3
  118 0.67 7
  119 0.42 4
  120 0.2 2
  121 0.5 5
  122 0.19 2
  123 0.52 5
  124 0.17 2
  125 0.42 4
  126 0.1 1
  127 0.16 2
  128 0.2 2
  129 0.51 5
  130 0.19 2
  131 0.1 1
  132 0.19 2
  133 0.8 8
  134 99.99 999
  135 12.31 123
  136 1.12 11
  137 0.27 3
  138 0.25 3
  139 0.18 2
  140 0.2 2
  141 0.31 3
  143 0.28 3
  144 0.12 1
  145 0.23 2
  146 0.47 5
  147 0.18 2
  148 0.58 6
  149 4.59 46
  150 0.53 5
  151 0.56 6
  152 48.18 482
  153 5.08 51
  154 0.59 6
  155 0.24 2
//