MassBank Record: JP002226



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

ACCESSION: 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
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 //