MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012163
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012163
RECORD_TITLE: TETRADECANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TETRADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30
CH$EXACT_MASS: 198.23475
CH$SMILES: CCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
CH$LINK: CAS
629-59-4
CH$LINK: INCHIKEY
BGHCVCJVXZWKCC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1027267
AC$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: splash10-0002-1900000000-8c2331bed6a10288665e
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
57 5.42 54
71 6.95 70
85 11 110
99 8.77 88
113 8.7 87
127 7.35 74
141 5.35 54
155 2.97 30
169 2.48 25
183 9.25 93
184 1.3 13
197 99.99 999
198 16.57 166
199 1.32 13
//