MassBank Record: JP002217



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

ACCESSION: JP002217
RECORD_TITLE: CYCLOHEXYLACETIC 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$NAME: CYCLOHEXYLACETIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16O2 CH$EXACT_MASS: 156.11503 CH$SMILES: COC(=O)CC(C1)CCCC1 CH$IUPAC: InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
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$SPLASH: splash10-00bc-9000000000-6ae9fad45b0a90df0df6 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 38 1.3 13 39 14.2 142 41 28.1 281 42 0.3 3 43 77.6 776 44 3.3 33 46 1 10 50 0.16 2 52 1.3 13 53 8.4 84 54 11.1 111 55 4.67 47 56 4 40 66 1.6 16 67 14.5 145 68 0.44 4 69 1.6 16 74 84 840 75 99.99 999 76 0.5 5 77 2 20 79 4 40 80 4.4 44 81 1.28 13 82 8.1 81 83 8.4 84 84 1 10 87 0.2 2 93 1.6 16 94 1.6 16 95 4.7 47 96 0.2 2 97 12.8 128 98 1.3 13 99 1.6 16 113 0.57 6 123 2 20 124 2 20 125 15.5 155 126 0.16 2 156 2.7 27 157 1 10 //