MassBank Record: JP007927



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

ACCESSION: JP007927
RECORD_TITLE: ELEMOL; 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$NAME: ELEMOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H26O CH$EXACT_MASS: 222.19837 CH$SMILES: C=CC(C)(C1)C([H])(C(C)=C)CC([H])(C1)C(C)(C)O CH$IUPAC: InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1 CH$LINK: INCHIKEY GFJIQNADMLPFOW-VNHYZAJKSA-N
AC$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: splash10-0aou-9600000000-99b4767c613a86377a88 PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 51 3.21 32 52 2.07 21 53 20.54 205 54 2.4 24 55 35.02 350 56 2.6 26 57 6.91 69 58 1.53 15 59 95.39 954 60 3.08 31 65 7.92 79 66 2.57 26 67 42.24 422 68 38.06 381 69 33.58 336 70 3.77 38 71 12.13 121 72 1.81 18 77 16.99 170 78 3.21 32 79 41.17 412 80 19.85 199 81 69.19 692 82 15.17 152 83 8.39 84 84 4.7 47 85 2.18 22 91 23.94 239 92 13.15 132 93 99.99 999 94 30.16 302 95 35.67 357 96 8.82 88 97 3.21 32 103 1.39 14 105 34.95 350 106 9.29 93 107 55.66 557 108 28.36 284 109 20.12 201 110 2.91 29 111 1.54 15 115 1.24 12 117 1.69 17 118 1.35 14 119 29.49 295 120 10.12 101 121 47.39 474 122 13.98 140 123 14.57 146 124 1.97 20 131 1.47 15 133 18.66 187 134 10.18 102 135 27.53 275 136 14.75 148 137 3.23 32 139 1.2 12 145 1.47 15 147 18.75 188 148 10.51 105 149 13.28 133 150 1.95 20 151 1.03 10 160 1.35 14 161 54.38 544 162 12.22 122 163 10.97 110 164 5.44 54 175 4.36 44 176 1.87 19 189 23.32 233 190 3.48 35 204 13.88 139 205 2.73 27 //