MassBank Record: JP002480



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

ACCESSION: JP002480
RECORD_TITLE: 4-ISOPROPYL-2-CYCLOHEXENONE; 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$NAME: 4-ISOPROPYL-2-CYCLOHEXENONE CH$NAME: CRYPTONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H14O CH$EXACT_MASS: 138.10447 CH$SMILES: CC(C)C(C1)C=CC(=O)C1 CH$IUPAC: InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3
AC$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: splash10-0002-9100000000-8be20fa842397bcfd4b4 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 42 32.98 330 43 42.72 427 51 2.99 30 53 5.82 58 54 4.6 46 55 11.98 120 56 2.68 27 65 5.16 52 66 7.87 79 67 24.46 245 68 15.91 159 69 3.89 39 70 2.51 25 77 4.32 43 79 4.3 43 81 20.78 208 82 6.49 65 83 7.01 70 94 2.95 30 95 58.72 587 96 99.99 999 97 16.67 167 109 3.2 32 110 3.91 39 120 3.48 35 121 5.03 50 123 5.68 57 138 23.57 236 139 2.33 23 //