MassBank Record: JP001860



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

ACCESSION: JP001860
RECORD_TITLE: 3-PENTADECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 3-PENTADECANONE CH$NAME: DODECYL ETHYL KETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H30O CH$EXACT_MASS: 226.22967 CH$SMILES: CCCCCCCCCCCCC(=O)CC CH$IUPAC: InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-14H2,1-2H3
AC$INSTRUMENT: SHIMADZU QP-1000 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: splash10-0596-9000000000-13c3914d726903a9778a PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 41 52.8 528 42 11.9 119 43 72.5 725 44 2.1 21 53 2.8 28 54 2.6 26 55 26.5 265 56 7.5 75 57 99.99 999 58 3.7 37 67 4.4 44 68 1.5 15 69 7.2 72 70 2.3 23 71 16.6 166 72 76.6 766 73 31.4 314 74 1.4 14 81 3.5 35 82 1.4 14 83 4 40 84 1.4 14 85 19.2 192 86 1.6 16 95 4.8 48 96 2 20 97 3.5 35 98 1.1 11 99 3 30 109 2.6 26 110 1.1 11 114 1.3 13 123 1.5 15 153 1 10 197 13.4 134 198 1.8 18 //