MassBank Record: JP002407



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

ACCESSION: JP002407
RECORD_TITLE: 2-(1-METHOXYPENTYL)CYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-(1-METHOXYPENTYL)CYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O2 CH$EXACT_MASS: 198.16198 CH$SMILES: CCCCC(OC)C(C1)C(=O)CCC1 CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-9-12(14-2)10-7-5-6-8-11(10)13/h10,12H,3-9H2,1-2H3
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-015d-9300000000-c3351cd1c2548cd7d756 PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 41 98.41 984 42 9.17 92 43 22.33 223 45 78.77 788 51 5.18 52 53 18.51 185 54 13.91 139 55 40.3 403 56 4.58 46 57 9.16 92 59 6.52 65 65 7.13 71 66 5.14 51 67 52.99 530 68 12.38 124 69 99.99 999 70 9.62 96 71 24.04 240 77 10.11 101 79 23.33 233 80 7.79 78 81 76.57 766 82 14.61 146 83 8.38 84 85 10.19 102 91 9.58 96 93 8.55 86 94 3.82 38 95 23.3 233 96 6.03 60 97 15.18 152 98 35.66 357 99 3.83 38 100 9.44 94 101 63.79 638 102 4.67 47 109 25.07 251 111 11.36 114 119 5.24 52 123 6.56 66 131 13.73 137 135 14.83 148 137 36.73 367 138 4.99 50 141 28.86 289 166 28.85 289 167 4.35 44 169 7.49 75 198 3.82 38 //