ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006472
RECORD_TITLE: ISOBORNYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOBORNYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O₂
CH$EXACT_MASS: 182.13068
CH$SMILES: O=COC(C1)C(C)(C2)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
CH$LINK: INCHIKEY RDWUNORUTVEHJF-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000g-9200000000-3baa4e7ab69aa5ef4391
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  15 1.2 12
  27 15.75 158
  28 3.73 37
  29 24.41 244
  31 1.51 15
  39 22.03 220
  40 3 30
  41 49.14 491
  42 3.37 34
  43 20.23 202
  44 1.48 15
  45 1.23 12
  51 3.63 36
  52 1.73 17
  53 13.78 138
  54 2.17 22
  55 23.71 237
  56 2.01 20
  57 4.21 42
  59 1.47 15
  63 1.02 10
  65 3.84 38
  66 1.73 17
  67 19.52 195
  68 6.69 67
  69 13.61 136
  70 2.37 24
  71 11.41 114
  72 1.24 12
  77 10.6 106
  78 1.83 18
  79 11.98 120
  80 6.18 62
  81 12.5 125
  82 9.79 98
  83 6.01 60
  84 2.28 23
  91 9.34 93
  92 11.85 119
  93 48.67 487
  94 8.6 86
  95 99.99 999
  96 7.6 76
  97 1.51 15
  105 3.06 31
  107 8.11 81
  108 14.25 143
  109 3.54 35
  110 15.21 152
  111 2.84 28
  121 53.42 534
  122 4.35 44
  136 44.63 446
  137 7.44 74
  139 2.04 20
  167 2.92 29
//