MassBank Record: JP012171



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

ACCESSION: JP012171
RECORD_TITLE: HENEICOSANE; 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$NAME: HENEICOSANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H44 CH$EXACT_MASS: 296.34430 CH$SMILES: CCCCCCCCCCCCCCCCCCCCC CH$IUPAC: InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3 CH$LINK: CAS 629-94-7 CH$LINK: INCHIKEY FNAZRRHPUDJQCJ-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$SPLASH: splash10-0002-1290000000-b4e97f1d11340cd3d235 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 71 11.24 112 85 10.76 108 86 1.21 12 97 1.3 13 99 7.19 72 111 1.41 14 113 6.21 62 127 6.05 61 128 1.1 11 141 4.91 49 155 4.57 46 169 4.73 47 183 4.11 41 197 3.94 39 211 4.01 40 225 3.69 37 239 3.9 39 253 3.59 36 267 3.75 38 281 11.16 112 282 2.09 21 295 99.99 999 296 23.18 232 297 3.24 32 //