MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006884
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006884
RECORD_TITLE: HEXADECANE; 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$NAME: HEXADECANE
CH$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$LINK: COMPTOX
DTXSID0027195
CH$LINK: INCHIKEY
DCAYPVUWAIABOU-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11006
AC$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-9000000000-2ba63d5e4e2ba2027b77
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 10.46 105
29 25.03 250
39 5.63 56
41 43.05 431
42 12.33 123
43 88.24 882
44 2.68 27
53 2.21 22
54 2.26 23
55 22.06 221
56 15.16 152
57 99.99 999
58 4.23 42
67 1.59 16
68 1.4 14
69 9.21 92
70 10.48 105
71 58.38 584
72 3.53 35
82 1.01 10
83 4.74 47
84 6.55 66
85 36.03 360
86 2.12 21
97 3.06 31
98 3.94 39
99 8.22 82
111 1.03 10
112 2.59 26
113 4.31 43
126 1.71 17
127 3.45 35
140 1.41 14
141 2.48 25
155 1.59 16
169 1.11 11
226 2.85 29
//