MassBank Record: JP002216



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

ACCESSION: JP002216
RECORD_TITLE: CYCLOPENTYLACETIC 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$NAME: CYCLOPENTYLACETIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14O2 CH$EXACT_MASS: 142.09938 CH$SMILES: COC(=O)CC(C1)CCC1 CH$IUPAC: InChI=1S/C8H14O2/c1-10-8(9)6-7-4-2-3-5-7/h7H,2-6H2,1H3
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$SPLASH: splash10-002f-9100000000-c1f3ce52422c2e0aa2cc PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 38 2 20 39 32.6 326 41 71.8 718 42 1.3 13 43 82.9 829 50 2.5 25 51 1 10 52 0.25 3 53 13.5 135 54 16 160 55 66.3 663 56 0.5 5 58 2.5 25 61 1.5 15 63 1.5 15 66 0.55 6 67 38.6 386 68 16.5 165 69 19 190 70 0.2 2 71 1.5 15 72 5.5 55 74 76.8 768 75 99.99 999 76 5 50 78 1.5 15 79 5 50 80 0.15 2 81 10 100 82 16 160 83 38.6 386 84 0.3 3 85 3 30 86 1 10 87 10.5 105 88 0.25 3 91 1 10 93 1.5 15 95 2 20 99 3.06 31 100 5 50 101 3 30 109 3.5 35 110 0.45 5 111 39.6 396 112 3 30 113 29.1 291 114 0.5 5 127 3.5 35 142 6 60 143 1.5 15 //