ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010072
RECORD_TITLE: 3,4-DIHYDRO-6-HYDROXY-2,5,7,8-TETRAMETHYL-2-(2-BENZIMIDAZOLETHIO)ETHYL-2H-1-BENZOPYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,4-DIHYDRO-6-HYDROXY-2,5,7,8-TETRAMETHYL-2-(2-BENZIMIDAZOLETHIO)ETHYL-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H26N2O2S
CH$EXACT_MASS: 382.17150
CH$SMILES: CC1=C(C(=C2CCC(OC2=C1C)(C)CCSC3=NC4=CC=CC=C4N3)C)O
CH$IUPAC: InChI=1S/C22H26N2O2S/c1-13-14(2)20-16(15(3)19(13)25)9-10-22(4,26-20)11-12-27-21-23-17-7-5-6-8-18(17)24-21/h5-8,25H,9-12H2,1-4H3,(H,23,24)
CH$LINK: INCHIKEY QWRCLQDGIAHWMP-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-001i-2971000000-4030079311605a3f818e
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  28 4.3 43
  41 9.1 91
  43 11.3 113
  49 0.77 8
  51 2.9 29
  53 3.5 35
  55 4.9 49
  65 0.33 3
  67 3.2 32
  69 2.8 28
  77 3.4 34
  79 0.3 3
  84 6.2 62
  86 3.9 39
  91 7.3 73
  93 0.46 5
  105 2.6 26
  107 2.3 23
  118 4.9 49
  119 0.66 7
  121 9.2 92
  122 4.8 48
  131 3.1 31
  135 0.37 4
  136 8.6 86
  137 3.2 32
  149 5.2 52
  150 0.61 6
  151 42.5 425
  152 4.7 47
  153 2.4 24
  159 1.31 13
  160 2.7 27
  161 3.1 31
  163 4.5 45
  164 7.03 70
  165 27.1 271
  166 3.4 34
  172 4.1 41
  175 0.49 5
  176 3.6 36
  177 15.9 159
  178 2.7 27
  185 0.55 6
  189 13 130
  190 5.9 59
  191 7 70
  203 2.15 22
  204 9.9 99
  205 9.2 92
  206 5.1 51
  215 0.23 2
  217 14.2 142
  218 2.9 29
  219 10.6 106
  231 0.44 4
  232 99.99 999
  233 16.8 168
  234 2 20
  382 6.41 64
  383 16.5 165
  384 6 60
//
