MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012160
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012160
RECORD_TITLE: DODECANE; 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$NAME: DODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26
CH$EXACT_MASS: 170.20345
CH$SMILES: CCCCCCCCCCCC
CH$IUPAC: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
CH$LINK: CAS
112-40-3
CH$LINK: INCHIKEY
SNRUBQQJIBEYMU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0026913
AC$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-4900000000-77ecfe81dc6e88ed28fa
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
57 11.7 117
71 17.26 173
85 21.34 213
86 1.4 14
99 16.62 166
100 1.29 13
113 11.68 117
114 1.02 10
127 4.81 48
141 2.03 20
155 6.89 69
169 99.99 999
170 14.76 148
171 1 10
//
system version 2.2.6-SNAPSHOT