MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007688
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007688
RECORD_TITLE: TETRADECANE; 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$NAME: TETRADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30
CH$EXACT_MASS: 198.23475
CH$SMILES: CCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
CH$LINK: CAS
629-59-4
CH$LINK: INCHIKEY
BGHCVCJVXZWKCC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1027267
AC$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: splash10-0a4i-9000000000-97d43db8a1ee2fb60342
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
40 3.5 35
41 44.3 443
42 12.3 123
43 9.77 98
44 4.1 41
53 1.6 16
54 1.5 15
55 1.5 15
56 14.2 142
57 99.99 999
58 4.2 42
67 0.1 1
68 0.9 9
69 5.6 56
70 8.3 83
71 4.59 46
72 2.5 25
82 0.9 9
83 2.6 26
84 0.44 4
85 25.4 254
86 1.7 17
97 1.5 15
98 0.28 3
99 4.7 47
111 0.5 5
112 1.9 19
113 0.22 2
126 1.1 11
127 1.3 13
140 0.6 6
141 0.1 1
155 0.5 5
168 0.1 1
169 0.2 2
198 0.1 1
199 0.1 1
//