MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012162
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012162
RECORD_TITLE: TRIDECANE; 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$NAME: TRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28
CH$EXACT_MASS: 184.21910
CH$SMILES: CCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
CH$LINK: CAS
629-50-5
CH$LINK: INCHIKEY
IIYFAKIEWZDVMP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6027266
AC$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: splash10-001i-3900000000-f603ed062b076f6497be
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
57 9.61 96
71 14.29 143
85 18.75 188
86 1.18 12
99 15.14 151
100 1.16 12
113 12.92 129
114 1.1 11
127 8.63 86
141 3.9 39
155 2.32 23
169 8.36 84
170 1.11 11
183 99.99 999
184 15.33 153
185 1.07 11
//