MassBank Record: JP002655



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

ACCESSION: JP002655
RECORD_TITLE: 2-HEXYLDECANOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2-HEXYLDECANOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H32O2 CH$EXACT_MASS: 256.24023 CH$SMILES: CCCCCCCCC(CCCCCC)C(O)=O CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-0avi-9600000000-820b256082ea8eaa7bd3 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 41 29.9 299 42 6.3 63 44 10.4 104 53 0.82 8 55 99.99 999 56 15.3 153 57 62.5 625 60 3.48 35 67 14.9 149 68 7.1 71 69 58.8 588 70 1.31 13 71 34 340 73 17.9 179 74 17.9 179 77 0.78 8 81 8.9 89 82 8.9 89 83 31.4 314 84 1.87 19 85 16.8 168 87 96.6 966 88 10.1 101 97 1.94 19 98 15.7 157 101 94 940 102 9.7 97 110 0.59 6 111 7.4 74 115 47.5 475 116 6.7 67 129 6.59 66 130 8.9 89 143 33.3 333 144 11.9 119 145 1.42 14 157 43.4 434 171 15.7 157 172 75.2 752 173 0.71 7 185 30.7 307 186 6.7 67 199 11.9 119 213 0.56 6 256 13.8 138 //