MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007686
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007686
RECORD_TITLE: DODECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
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: SHIMADZU QP-1000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9000000000-60adc4e587abee13f129
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
40 8.7 87
41 48 480
42 13.7 137
43 99.99 999
44 5.4 54
53 1.7 17
54 1.4 14
55 1.31 13
56 13.7 137
57 82.2 822
58 3.4 34
67 0.07 1
68 0.6 6
69 4.3 43
70 8 80
71 3.64 36
72 2 20
82 0.5 5
83 1.7 17
84 0.48 5
85 16.6 166
86 1.7 17
97 0.7 7
98 0.27 3
99 2.6 26
112 1.4 14
113 1.5 15
126 0.06 1
127 1 10
141 0.5 5
170 1.1 11
171 0.1 1
//
system version 2.2.6-SNAPSHOT