MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001645
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001645
RECORD_TITLE: N-HEXADECANE; 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$NAME: N-HEXADECANE
CH$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: 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: splash10-052f-9000000000-8393983fcf59dd400873
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
40 5.06 51
41 62.22 622
42 26.78 268
43 99.99 999
44 4.15 42
53 2.69 27
54 7.59 76
55 26.57 266
56 39.12 391
57 92.85 929
58 5.48 55
68 2.11 21
72 2.02 20
82 1.36 14
83 4.76 48
84 7.5 75
85 38.52 385
86 6.25 63
97 3.49 35
98 5.36 54
99 12.4 124
100 1.22 12
111 1.63 16
112 4.06 41
113 7.31 73
126 3.28 33
127 5.11 51
140 2.88 29
141 3.92 39
154 2.17 22
155 3.2 32
168 1.62 16
169 2.57 26
183 1.56 16
225 2.49 25
226 6.32 63
227 1.23 12
//
system version 2.2.8-SNAPSHOT