MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009123
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009123
RECORD_TITLE: HEXACOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: HEXACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H54
CH$EXACT_MASS: 366.42255
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
CH$LINK: CAS
630-01-3
CH$LINK: INCHIKEY
HMSWAIKSFDFLKN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7060883
AC$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: splash10-0a4l-9000000000-e37e2b4f024d8a92f5a7
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
27 5.14 51
29 16.32 163
39 2.04 20
41 35.08 351
42 8.5 85
43 99.67 997
44 1.25 13
53 1.57 16
54 2.18 22
55 27.32 273
56 18.26 183
57 99.99 999
58 4.08 41
67 2.36 24
68 2.51 25
69 13.72 137
70 7.9 79
71 63.49 635
72 3.01 30
82 2.63 26
83 8.14 81
84 4.51 45
85 37.61 376
86 1.45 15
96 1 10
97 6.04 60
98 3.32 33
99 8.25 83
111 2.06 21
112 2.02 20
113 4.88 49
125 1.12 11
126 1.2 12
127 3.27 33
140 1.41 14
141 2.26 23
155 1.37 14
168 1.29 13
169 1.75 18
197 1.25 13
//