MassBank Record: JP002906



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

ACCESSION: JP002906
RECORD_TITLE: 2-N-BUTYL 2-CYCLOPENTENONE; 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$NAME: 2-N-BUTYL 2-CYCLOPENTENONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H14O CH$EXACT_MASS: 138.10447 CH$SMILES: CCCCC(=C1)C(=O)CC1 CH$IUPAC: InChI=1S/C9H14O/c1-2-3-5-8-6-4-7-9(8)10/h6H,2-5,7H2,1H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kk-9200000000-27c61648f58d94067e5d PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 27 31.18 312 28 7.53 75 29 9.95 100 39 30.77 308 40 6.61 66 41 47.79 478 42 4.09 41 43 13.43 134 50 2.43 24 51 6.79 68 52 4.99 50 53 21.49 215 54 9.14 91 55 16.05 161 65 7.98 80 66 7.06 71 67 40.6 406 68 25.51 255 69 3.96 40 77 6.44 64 79 14.69 147 80 2.68 27 81 31.66 317 82 12.49 125 83 3.07 31 91 3.01 30 93 2.04 20 94 3.4 34 95 31.04 310 96 99.99 999 97 19.48 195 109 36.77 368 110 16.41 164 123 21.56 216 137 7.62 76 138 51.36 514 139 5.63 56 //