MassBank Record: JP005803

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(1R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP005803
RECORD_TITLE: (1R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: (1R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE
CH$NAME: (+)CAMPHOR
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=C(C1)C(C)(C2)C(C)(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
CH$LINK: CAS 464-49-3
CH$LINK: INCHIKEY DSSYKIVIOFKYAU-XCBNKYQSSA-N
CH$LINK: COMPTOX DTXSID4024721

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$SPLASH: splash10-05o1-9300000000-f5c5e5805061cef08d31
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  51 3.04 30
  52 1.37 14
  53 7.92 79
  54 1.93 19
  55 27.24 272
  56 1.8 18
  57 1.22 12
  65 2.92 29
  66 1.16 12
  67 19.82 198
  68 15.23 152
  69 38.25 383
  70 2.45 25
  77 4.27 43
  79 5.04 50
  80 15.35 154
  81 72.08 721
  82 12.57 126
  83 29.6 296
  84 2.34 23
  91 3.49 35
  93 11.61 116
  94 1.63 16
  95 99.99 999
  96 9.61 96
  97 5.65 57
  107 1.05 11
  108 47.03 470
  109 26.33 263
  110 16.48 165
  111 1.65 17
  123 1.03 10
  124 1.01 10
  137 4.26 43
  152 35.42 354
  153 3.96 40
//