MassBank Record: JP002593



 FENCHANE (2,2-D2); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002593
RECORD_TITLE: FENCHANE (2,2-D2); 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$NAME: FENCHANE (2,2-D2) CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)(2,2-2H2)HEPTANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18 CH$EXACT_MASS: 138.14085 CH$SMILES: CC(C)(C21)C([2H])([2H])C(C)(CC2)C1 CH$IUPAC: InChI=1S/C10H18/c1-9(2)7-10(3)5-4-8(9)6-10/h8H,4-7H2,1-3H3/i7D2
AC$INSTRUMENT: HITACHI M-80 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: splash10-0002-9100000000-17a28c0b9d4d2255a3b4 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 15 1.75 18 27 13.11 131 28 8.75 88 29 8.59 86 30 6.62 66 31 1.87 19 39 17.43 174 40 10.76 108 41 31.58 316 42 20.88 209 43 10.04 100 44 4.03 40 51 3.17 32 52 3.55 36 53 9.48 95 54 9.49 95 55 22.9 229 56 22.53 225 57 19.66 197 58 1.94 19 63 1.15 12 65 2.78 28 66 3.78 38 67 18.85 189 68 27.56 276 69 29.96 300 70 16.92 169 71 10.58 106 72 1.21 12 77 5.92 59 78 7.21 72 79 8.76 88 80 11.3 113 81 14.84 148 82 65.37 654 83 38.46 385 84 10.69 107 85 10.53 105 86 2.41 24 91 3.05 31 92 4.72 47 93 8.06 81 95 32.69 327 96 77.78 778 97 99.99 999 98 14.85 149 99 7.55 76 107 1.65 17 108 1.79 18 109 4.36 44 110 46.78 468 111 7.38 74 112 1.56 16 124 1.96 20 125 17.54 175 126 1.9 19 138 1.05 11 139 2.6 26 140 16.3 163 141 1.97 20 //