MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005756
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005756
RECORD_TITLE: DODECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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: COMPTOX
DTXSID0026913
CH$LINK: INCHIKEY
SNRUBQQJIBEYMU-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8182
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-052f-9000000000-e297100d4245d91a3893
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
39 8.15 82
40 1.49 15
41 41.51 415
42 11.33 113
43 98.66 987
44 3.45 35
53 2.13 21
54 2.05 21
55 17.07 171
56 14.21 142
57 99.99 999
58 4.93 49
67 1.24 12
68 1.11 11
69 6.35 64
70 11.79 118
71 52.2 522
72 2.82 28
82 0.73 7
83 2.35 24
84 7.03 70
85 29.3 293
86 0.94 9
97 0.92 9
98 5.46 55
99 5.66 57
100 0.4 4
112 3.05 31
113 4.38 44
126 1.38 14
127 3.05 31
128 0.77 8
140 0.71 7
141 1.58 16
170 5.13 51
171 0.65 7
//