ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006909
RECORD_TITLE: BORNYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BORNYL PROPIONATE
CH$NAME: ENDO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O₂
CH$EXACT_MASS: 210.16198
CH$SMILES: CCC(=O)OC(C1)C(C)(C2)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3
CH$LINK: INCHIKEY FAFMZORPAAGQFV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70859764

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$SPLASH: splash10-0a4m-9300000000-89def25b097fd073ece5
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  27 10.99 110
  29 39.12 391
  39 7.06 71
  40 1.29 13
  41 28.5 285
  42 2.02 20
  43 12.11 121
  51 1.17 12
  53 7.85 79
  54 1.11 11
  55 16.27 163
  56 1.67 17
  57 88.5 885
  58 2.75 28
  65 2.16 22
  67 11.86 119
  68 5.22 52
  69 19.07 191
  70 1.69 17
  71 2.6 26
  72 2.02 20
  77 6.19 62
  78 1.17 12
  79 8.76 88
  80 17.65 177
  81 14.2 142
  82 7.06 71
  83 6.41 64
  84 2.72 27
  91 5.95 60
  92 14.41 144
  93 50.37 504
  94 8.35 84
  95 99.99 999
  96 8.93 89
  97 2.15 22
  105 1.99 20
  107 8.83 88
  108 26.36 264
  109 28.76 288
  110 15.15 152
  111 6.04 60
  121 40.66 407
  122 3.68 37
  123 1.87 19
  125 1.19 12
  135 2.43 24
  136 51.91 519
  137 9.5 95
  153 1.7 17
  154 10.76 108
  155 1.24 12
  210 11.41 114
  211 1.62 16
//