ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009775
RECORD_TITLE: 2-HYDROXY-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-3-ONE; 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$NAME: 2-HYDROXY-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O2
CH$EXACT_MASS: 168.11503
CH$SMILES: O=C(C(O)1)C(C2)C(C)(C)C(C)(C2)1
CH$IUPAC: InChI=1S/C10H16O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6,8,12H,4-5H2,1-3H3
CH$LINK: INCHIKEY HJVHHNRJPMNKAK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40301982
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$SPLASH: splash10-00lr-9100000000-c8c243551cb45f6429d0
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 13.1 131
  28 5 50
  29 10.3 103
  39 1.59 16
  41 46 460
  43 22.9 229
  53 10.8 108
  55 5.44 54
  57 14.2 142
  67 12 120
  69 49.4 494
  70 6.99 70
  71 48.1 481
  77 5.7 57
  79 6.1 61
  81 0.72 7
  82 7.6 76
  83 99.99 999
  84 64.6 646
  85 0.64 6
  95 26.5 265
  96 9.8 98
  97 10.3 103
  100 0.76 8
  107 6.9 69
  109 7.4 74
  111 5 50
  125 2.26 23
  138 6.1 61
  139 7.6 76
  140 8.4 84
  153 0.75 8
  168 43.1 431
  169 4.9 49
//
