MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001646
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001646
RECORD_TITLE: N-OCTADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: N-OCTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H38
CH$EXACT_MASS: 254.29735
CH$SMILES: CCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
CH$LINK: CAS
593-45-3
CH$LINK: INCHIKEY
RZJRJXONCZWCBN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047172
AC$INSTRUMENT: VARIAN MAT-44
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: splash10-0a4l-9000000000-57d32abbd4d744a3ed5a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
41 27.65 277
42 8.82 88
43 84.53 845
44 4.92 49
54 1.56 16
55 15.93 159
56 13.67 137
57 99.99 999
58 4.29 43
67 1.17 12
68 1.25 13
69 6.64 66
70 7.5 75
71 50.23 502
72 2.81 28
82 1.4 14
83 3.59 36
84 3.67 37
85 24.92 249
86 1.48 15
97 2.1 21
98 2.18 22
99 6.87 69
112 1.4 14
113 3.2 32
126 1.01 10
127 1.95 20
141 1.25 13
254 1.17 12
//