MassBank Record: JP002600



 ISONORBORNEOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002600
RECORD_TITLE: ISONORBORNEOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISONORBORNEOL CH$NAME: EXO-BICYCLO(2.2.1)HEPTAN-2-OL CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12O CH$EXACT_MASS: 112.08882 CH$SMILES: OC(C1)C(C2)CC(C2)1 CH$IUPAC: InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5?,6?,7-/m1/s1
AC$INSTRUMENT: HITACHI RMU-6M 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: splash10-014l-9000000000-bf3fb2ddca02ce2b24e1 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 15 3.16 32 26 2.13 21 27 26.12 261 28 4.7 47 29 14.23 142 31 7.34 73 37 1 10 38 2.99 30 39 34.7 347 40 8.97 90 41 38.9 389 42 8.06 81 43 10.53 105 44 6.4 64 45 7.26 73 50 2.22 22 51 4.5 45 52 2.13 21 53 17.02 170 54 6.55 66 55 19.27 193 56 10.11 101 58 7.57 76 63 1.51 15 65 6.26 63 66 62.56 626 67 70.78 708 68 68.49 685 69 6.12 61 70 14.09 141 71 7.54 75 77 6.03 60 78 1.85 19 79 70.78 708 80 5.69 57 81 13.15 132 82 2.05 21 83 15.09 151 84 6.55 66 91 2.36 24 93 5.27 53 94 99.99 999 95 9.96 100 97 5.84 58 111 1.42 14 112 2.85 29 //