ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009907
RECORD_TITLE: 2,2,5,7,8-PENTAMETHYLCHROMAN-6-OL; 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$NAME: 2,2,5,7,8-PENTAMETHYLCHROMAN-6-OL
CH$NAME: 2,4-DIHYDRO-2,2,5,7,8-PENTAMETHYL-6-HYDROXY-2H-1-BENZOPYRANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O2
CH$EXACT_MASS: 220.14633
CH$SMILES: Oc(c(C)1)c(C)c(C2)c(OC(C)(C)C2)c(C)1
CH$IUPAC: InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
CH$LINK: CAS 950-99-2
CH$LINK: INCHIKEY SEBPXHSZHLFWRL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70241721
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$SPLASH: splash10-0300-4930000000-08d950865405837d6fca
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  27 5.3 53
  28 37.3 373
  29 3.3 33
  32 10.3 103
  39 6.7 67
  40 1.6 16
  41 7.6 76
  43 7.2 72
  44 1.3 13
  51 3 30
  53 8.4 84
  55 4.8 48
  57 2.8 28
  65 4 40
  67 5.2 52
  69 3.8 38
  77 7 70
  79 6.7 67
  81 3 30
  83 3 30
  91 8.5 85
  93 3.3 33
  105 4.1 41
  107 4.7 47
  115 3 30
  119 3.4 34
  121 10.6 106
  133 2.8 28
  135 6.3 63
  136 12 120
  137 6.2 62
  147 4.3 43
  149 3.6 36
  161 4.2 42
  162 1.8 18
  163 4.9 49
  164 98 980
  165 99.99 999
  166 17.8 178
  175 10.3 103
  176 7.3 73
  177 5.7 57
  188 2.7 27
  189 4 40
  191 1.6 16
  203 6.9 69
  204 3.6 36
  205 6.5 65
  218 8.3 83
  219 6 60
  220 80 800
//
