ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007927
RECORD_TITLE: ELEMOL; 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$NAME: ELEMOL
CH$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$LINK: INCHIKEY GFJIQNADMLPFOW-VNHYZAJKSA-N
CH$LINK: COMPTOX DTXSID1052323

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
//