MassBank Record: JP005803



 (1R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP005803
RECORD_TITLE: (1R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: FUJISE YHAMAMATSU UNIV. SCHOOL OF MEDICINE, 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 //

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