MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006878
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006878
RECORD_TITLE: DODECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE 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$LINK: INCHIKEY
SNRUBQQJIBEYMU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0026913
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-a4f0cf165600c30ffaef
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
27 19.25 193
28 11.48 115
29 30.84 308
39 9.51 95
41 47.32 473
42 13.14 131
43 99.51 995
44 2.52 25
53 2.08 21
54 2.11 21
55 18.61 186
56 15.71 157
57 99.99 999
58 3.34 33
69 3.73 37
70 8.28 83
71 47.59 476
72 2.53 25
83 1.82 18
84 4.8 48
85 24.56 246
86 1.69 17
98 3.8 38
99 3.25 33
112 1.99 20
113 2.66 27
127 1.75 18
170 2.9 29
//
system version 2.2.6-SNAPSHOT