ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005547
RECORD_TITLE: 2-METHYLBENZOTHIOPYRAN-4-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYLBENZOTHIOPYRAN-4-ONE
CH$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-6L
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: splash10-002b-3900000000-21aad71533c46a8e62c2
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  38 5.2 52
  39 22 220
  45 10 100
  50 7 70
  51 5.3 53
  58 5 50
  62 4 40
  63 10 100
  67 5.8 58
  69 22 220
  73 4.1 41
  74 11 110
  82 7.3 73
  108 28 280
  115 5 50
  136 33 330
  137 3.6 36
  146 2.5 25
  147 51 510
  148 51 510
  149 5.8 58
  150 2.2 22
  175 1 10
  176 99.99 999
  177 12 120
  178 4.8 48
  179 1.2 12
//
