MassBank Record: JP012325



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

ACCESSION: JP012325
RECORD_TITLE: HEPTADECYLBENZENE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: IIDA YFAC. OF ENGINEERING, SEIKEI UNIV., DAISHIMA SFAC. OF ENGINEERING, SEIKEI UNIV., FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTADECYLBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H40 CH$EXACT_MASS: 316.31300 CH$SMILES: CCCCCCCCCCCCCCCCCc(c1)cccc1 CH$IUPAC: InChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3 CH$LINK: CAS 14752-75-1 CH$LINK: INCHIKEY ZMPPFNHWXMJARX-UHFFFAOYSA-N
AC$INSTRUMENT: FINNIGAN-MAT 4500 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-014i-0009000000-d5224e159586f4e3fd38 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 57 2.74 27 71 2.87 29 85 2.81 28 91 6.1 61 92 3.42 34 99 1.56 16 105 2.91 29 113 1.54 15 119 2.25 23 127 1.31 13 133 2.72 27 141 1.21 12 147 2.58 26 155 1.23 12 161 2.61 26 169 1.42 14 175 2.32 23 183 1.08 11 189 2.27 23 203 1.93 19 217 1.89 19 231 1.87 19 239 5.32 53 245 1.26 13 259 1.79 18 273 1.85 19 287 2.43 24 301 7.56 76 302 1.61 16 315 99.99 999 316 36.66 367 317 79.19 792 318 17.96 180 319 2.18 22 345 26.04 260 346 6.66 67 357 5.32 53 358 1.33 13 //