MassBank Record: JP000741



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

ACCESSION: JP000741
RECORD_TITLE: 2-METHOXYCARBONYLMETHYL-3-METHYL-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$NAME: 2-METHOXYCARBONYLMETHYL-3-METHYL-2-CYCLOPENTEN-1-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H12O3 CH$EXACT_MASS: 168.07864 CH$SMILES: COC(=O)CC(=C(C)1)C(=O)CC1 CH$IUPAC: InChI=1S/C9H12O3/c1-6-3-4-8(10)7(6)5-9(11)12-2/h3-5H2,1-2H3
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$SPLASH: splash10-0553-9300000000-6b968f2713791173ae9c PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 39 52 520 40 15 150 41 77 770 42 0.7 7 43 17 170 44 2 20 45 5 50 47 1 10 48 5 50 49 4 40 50 13 130 51 2.7 27 52 14 140 53 54 540 54 8 80 55 1.7 17 56 2 20 57 2 20 58 1 10 59 3.3 33 60 2 20 61 2 20 62 4 40 63 0.6 6 64 2 20 65 19 190 66 13 130 67 4.8 48 68 6 60 69 3 30 70 0.1 1 71 2 20 74 2 20 75 2 20 77 1.7 17 78 6 60 79 81 810 80 18 180 81 8.3 83 82 9 90 83 23 230 84 2 20 85 1.6 16 87 4 40 91 3 30 93 6 60 94 0.6 6 95 9 90 96 2 20 97 5 50 98 0.4 4 99 3 30 107 5 50 108 99.99 999 109 5.6 56 110 9 90 111 3 30 112 2 20 121 0.2 2 123 4 40 125 6 60 135 1 10 136 52 520 137 23 230 138 0.3 3 139 1 10 140 1 10 141 1 10 168 2.7 27 169 5 50 170 1 10 //