MassBank Record: JP001147



 2-(3-(3-HYDROXYBUTYL)-2,2-DIMETHYLCYCLOPROPYL)CYCLOPENT-2-ENE-1-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001147
RECORD_TITLE: 2-(3-(3-HYDROXYBUTYL)-2,2-DIMETHYLCYCLOPROPYL)CYCLOPENT-2-ENE-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$NAME: 2-(3-(3-HYDROXYBUTYL)-2,2-DIMETHYLCYCLOPROPYL)CYCLOPENT-2-ENE-1-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H22O2 CH$EXACT_MASS: 222.16198 CH$SMILES: CC(O)CCC(C(C)(C)1)C(C(=C2)C(=O)CC2)1 CH$IUPAC: InChI=1S/C14H22O2/c1-9(15)7-8-11-13(14(11,2)3)10-5-4-6-12(10)16/h5,9,11,13,15H,4,6-8H2,1-3H3
AC$INSTRUMENT: HITACHI RMU-6L AC$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$SPLASH: splash10-052f-9800000000-04e9f3d9181f631b8df9 PK$NUM_PEAK: 93 PK$PEAK: m/z int. rel.int. 40 4.7 47 41 68.6 686 42 9.3 93 43 99.99 999 44 2.4 24 45 48.2 482 51 11.4 114 52 4.3 43 53 17.6 176 54 1.6 16 55 57.6 576 56 2.7 27 57 12.1 121 59 3.9 39 61 2.4 24 63 2.4 24 65 16 160 66 4.3 43 67 17.6 176 68 5.4 54 69 39.6 396 70 2 20 71 8.2 82 73 3.1 31 77 41.2 412 78 11.8 118 79 36.9 369 80 5 50 81 15.7 157 82 4.7 47 83 6.3 63 85 5 50 91 64.3 643 92 16.5 165 93 25.7 257 94 5 50 95 16.9 169 96 9.8 98 97 9 90 99 4.7 47 103 3.1 31 104 2 20 105 44.3 443 106 38.8 388 107 87.5 875 108 12.9 129 109 22.3 223 111 3.9 39 115 2.4 24 117 7.8 78 118 4.3 43 119 53.3 533 120 28.2 282 121 37.6 376 122 6.3 63 123 12.2 122 124 1.6 16 125 2 20 129 3.1 31 130 1 10 131 11 110 132 2 20 133 34.5 345 134 12.9 129 135 19.2 192 136 7.5 75 137 13.3 133 139 1 10 143 1.6 16 145 3.1 31 146 2 20 147 31.4 314 148 21.6 216 149 16.7 167 150 4.7 47 151 2.7 27 161 23.9 239 162 35.3 353 163 11.2 112 164 7.8 78 165 5 50 171 2 20 175 6.7 67 176 2 20 177 1.6 16 179 23.5 235 180 2.4 24 189 8.2 82 203 1 10 204 9 90 205 1.6 16 222 3.5 35 223 0.5 5 //