MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007690
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007690
RECORD_TITLE: HEXADECANE; 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$NAME: HEXADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H34
CH$EXACT_MASS: 226.26605
CH$SMILES: CCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
CH$LINK: CAS
544-76-3
CH$LINK: INCHIKEY
DCAYPVUWAIABOU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0027195
AC$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-b0449813985ea9c60d4f
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
40 2.3 23
41 45 450
42 11.7 117
43 9.72 97
44 3.9 39
53 1.5 15
54 1.7 17
55 1.8 18
56 13.7 137
57 99.99 999
58 4.5 45
67 0.13 1
68 1.2 12
69 6.9 69
70 8.6 86
71 5.21 52
72 2.9 29
82 1.2 12
83 3.6 36
84 0.44 4
85 28.6 286
86 1.9 19
97 2.4 24
98 0.28 3
99 7 70
111 0.9 9
112 1.8 18
113 0.33 3
126 1.2 12
127 1.8 18
140 0.8 8
141 0.12 1
154 0.5 5
155 0.8 8
168 0.3 3
169 0.06 1
182 0.1 1
183 0.3 3
196 0.1 1
197 0.01 0
226 0.7 7
227 0.1 1
//