MassBank Record: JP002335



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

ACCESSION: JP002335
RECORD_TITLE: 2-(1-METHYL-3-BUTENYL)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$NAME: 2-(1-METHYL-3-BUTENYL)CYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H18O CH$EXACT_MASS: 166.13577 CH$SMILES: C=CCC(C)C(C1)C(=O)CCC1 CH$IUPAC: InChI=1S/C11H18O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3,9-10H,1,4-8H2,2H3
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$SPLASH: splash10-0002-9100000000-690a32b6a414dec01d87 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 42 23.01 230 43 3.66 37 51 1.59 16 53 5.01 50 54 1.95 20 55 34.12 341 56 1.92 19 57 1.5 15 65 1.83 18 67 8.88 89 68 4.45 45 69 7.19 72 70 21.14 211 71 1.22 12 77 2.51 25 79 5.34 53 80 1.95 20 81 9.56 96 83 14.93 149 84 1.15 12 91 6.88 69 92 1.14 11 93 1.47 15 95 1.9 19 97 12.13 121 98 99.99 999 99 6.97 70 105 4.37 44 106 2.14 21 107 1.92 19 109 1.81 18 119 1.92 19 125 2.53 25 131 1.67 17 133 2.73 27 137 2.08 21 148 4 40 149 1.18 12 151 3.41 34 166 5.79 58 //