ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009436
RECORD_TITLE: 2-METHYLTHIOCHROMONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYLTHIOCHROMONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8OS
CH$EXACT_MASS: 176.02959
CH$SMILES: CC(=C1)Sc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C10H8OS/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
CH$LINK: INCHIKEY MGMTVGPDPYFNAU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60317565
AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-004j-4900000000-78aa01063882d235db86
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  40 3 30
  41 1 10
  44 1 10
  45 9 90
  46 1 10
  47 1.5 15
  50 7.5 75
  51 6 60
  52 1 10
  53 1.5 15
  57 1.5 15
  58 6 60
  59 2 20
  60 1 10
  61 2.5 25
  62 5 50
  63 10.5 105
  64 3 30
  65 2.5 25
  66 1.5 15
  67 7 70
  68 1 10
  69 26.5 265
  70 1.5 15
  71 5 50
  72 3 30
  73 4.5 45
  74 10.5 105
  75 3 30
  76 5 50
  77 4.5 45
  78 1 10
  81 3 30
  82 7.5 75
  83 1 10
  84 1.5 15
  85 2.5 25
  86 2 20
  87 1 10
  88 1 10
  89 3 30
  90 1 10
  91 1 10
  92 3 30
  93 2.5 25
  94 1 10
  95 1 10
  101 1 10
  102 2 20
  103 3 30
  104 1.5 15
  105 1 10
  106 1 10
  107 2 20
  108 22.5 225
  109 3 30
  110 2.5 25
  115 6 60
  116 1 10
  121 2.5 25
  122 1 10
  135 1 10
  136 33 330
  137 4.5 45
  138 2 20
  145 1 10
  146 2 20
  147 52 520
  148 52.5 525
  149 7.5 75
  150 3 30
  175 1 10
  176 99.99 999
  177 14 140
  178 6.5 65
  179 1 10
//
