MassBank Record: JP000742



 3-(2-(METHOXY(ARBONYL)ETHYL)-2-CYCLOPENTEN-1-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000742
RECORD_TITLE: 3-(2-(METHOXY(ARBONYL)ETHYL)-2-CYCLOPENTEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3-(2-(METHOXY(ARBONYL)ETHYL)-2-CYCLOPENTEN-1-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H12O3 CH$EXACT_MASS: 168.07864 CH$SMILES: COC(=O)CCC(C1)=CC(=O)C1 CH$IUPAC: InChI=1S/C9H12O3/c1-12-9(11)5-3-7-2-4-8(10)6-7/h6H,2-5H2,1H3
AC$INSTRUMENT: HITACHI RMS-4 AC$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$SPLASH: splash10-00lr-9200000000-ee05b126202e1c6bcd5d PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 39 34 340 40 8 80 41 33 330 42 0.6 6 43 17 170 44 2 20 45 8 80 50 0.7 7 51 15 150 52 17 170 53 48 480 54 0.7 7 55 18 180 56 3 30 57 3 30 58 0.3 3 59 18 180 60 2 20 61 2 20 62 0.2 2 63 3 30 64 2 20 65 11 110 66 1.5 15 67 25 250 68 6 60 69 6 60 71 0.3 3 74 4 40 75 2 20 77 9 90 78 0.4 4 79 30 300 80 30 300 81 99.99 999 82 1 10 83 7 70 84 3 30 85 2 20 87 0.3 3 91 3 30 92 1 10 93 3 30 94 1.5 15 95 18 180 96 3 30 97 8 80 98 1.8 18 99 5 50 107 7 70 108 27 270 109 3.8 38 110 6 60 111 4 40 112 3 30 123 0.3 3 125 10 100 126 2 20 136 15 150 137 1.7 17 138 3 30 139 3 30 140 18 180 141 0.3 3 168 52 520 169 5 50 //