MassBank Record: JP002262



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

ACCESSION: JP002262
RECORD_TITLE: 2-(1-PROPYL-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$NAME: 2-(1-PROPYL-3-BUTENYL)CYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H22O CH$EXACT_MASS: 194.16707 CH$SMILES: CCCC(CC=C)C(C1)C(=O)CCC1 CH$IUPAC: InChI=1S/C13H22O/c1-3-7-11(8-4-2)12-9-5-6-10-13(12)14/h3,11-12H,1,4-10H2,2H3
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$SPLASH: splash10-0002-9100000000-ee79ab475e57e966dde2 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 42 16 160 43 1.77 18 53 3.28 33 54 3.8 38 55 17.55 176 57 2.43 24 65 2.3 23 67 9.65 97 69 7.51 75 70 13.54 135 77 3.07 31 79 5.97 60 80 1.78 18 81 7.23 72 83 12.77 128 91 9.2 92 93 3.17 32 95 3.12 31 96 4.11 41 97 11.19 112 98 99.99 999 99 7.06 71 105 2.72 27 111 2.41 24 129 1.71 17 131 2.91 29 133 6.14 61 134 2.13 21 145 2.95 30 147 3.1 31 151 8.03 80 153 1.8 18 176 3.69 37 194 2.53 25 //