ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002226
RECORD_TITLE: CAMPHORIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: CAMPHORIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₄
CH$EXACT_MASS: 228.13616
CH$SMILES: COC(=O)C([H])(C1)C(C)(C)C(C)(C1)C(=O)OC
CH$IUPAC: InChI=1S/C12H20O4/c1-11(2)8(9(13)15-4)6-7-12(11,3)10(14)16-5/h8H,6-7H2,1-5H3/t8-,12+/m1/s1
CH$LINK: INCHIKEY JTQKJWYDOXYYBH-PELKAZGASA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0ap0-4900000000-3e5882cf59c26e7da1ac
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  43 1.3 13
  45 2.2 22
  51 1.3 13
  52 0.31 3
  53 12.4 124
  54 5.3 53
  55 32.8 328
  56 0.17 2
  59 14.2 142
  65 3.1 31
  66 3.1 31
  67 3.42 34
  68 34.6 346
  69 29.3 293
  70 1.3 13
  73 1.95 20
  75 2.2 22
  77 5.7 57
  79 10.6 106
  80 0.31 3
  81 9.7 97
  82 12.8 128
  83 16.4 164
  85 0.13 1
  87 4.8 48
  88 2.6 26
  91 5.7 57
  93 2.48 25
  94 7.1 71
  95 22.2 222
  96 25.3 253
  97 0.44 4
  99 1.3 13
  100 1.7 17
  101 15.1 151
  102 0.22 2
  107 7.5 75
  108 69.3 693
  109 99.99 999
  110 0.93 9
  112 3.1 31
  113 4.4 44
  114 5.3 53
  115 0.4 4
  121 11.1 111
  122 3.1 31
  123 2.2 22
  125 0.84 8
  126 5.3 53
  127 5.7 57
  128 10.2 102
  129 0.13 1
  135 2.6 26
  136 69.7 697
  137 40.8 408
  138 0.48 5
  139 1.7 17
  140 6.2 62
  142 1.7 17
  146 0.22 2
  149 4 40
  150 1.3 13
  153 11.5 115
  154 0.93 9
  155 2.6 26
  159 2.6 26
  164 29.3 293
  165 0.4 4
  167 2.2 22
  168 58.6 586
  169 23.5 235
  170 0.31 3
  181 2.2 22
  196 19.5 195
  197 8.8 88
  198 1.3 13
//