MassBank Record: JP002222



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

ACCESSION: JP002222
RECORD_TITLE: CYCLOHEXANEPROPIONIC ACID METHYL 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$NAME: CYCLOHEXANEPROPIONIC ACID METHYL ESTER CH$NAME: METHYL 3-CYCLOHEXYLPROPIONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18O2 CH$EXACT_MASS: 170.13068 CH$SMILES: COC(=O)CCC(C1)CCCC1 CH$IUPAC: InChI=1S/C10H18O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
AC$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: splash10-059j-9000000000-6aeb411130896bee881f PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 38 0.3 3 39 14.4 144 41 37.8 378 42 0.35 4 43 23.6 236 50 1 10 51 1.4 14 52 0.14 1 53 7.7 77 54 9.1 91 55 78 780 56 0.45 5 57 14.1 141 58 1.7 17 60 0.3 3 61 0.1 1 63 0.7 7 65 1 10 66 2.1 21 67 1.97 20 68 5.6 56 69 9.8 98 70 1.7 17 72 0.03 0 74 80.9 809 75 23.6 236 76 1.4 14 77 0.1 1 78 2.1 21 79 7.4 74 80 2.1 21 81 1.2 12 82 2.8 28 83 10.6 106 84 1.4 14 85 0.07 1 87 99.99 999 88 18.7 187 89 1.4 14 91 0.24 2 93 3.8 38 94 6.3 63 95 9.5 95 96 2.89 29 97 94.3 943 98 8.1 81 99 0.3 3 105 0.03 0 109 3.8 38 110 2.4 24 111 1 10 113 0.1 1 119 1.4 14 120 2.4 24 121 13.4 134 122 0.14 1 123 0.3 3 135 0.3 3 137 1.4 14 138 0.45 5 139 12.7 127 140 1.4 14 141 13 130 142 0.21 2 169 0.3 3 170 1.4 14 171 0.3 3 //