MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009122
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009122
RECORD_TITLE: PENTACOSANE; 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$NAME: PENTACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H52
CH$EXACT_MASS: 352.40690
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
CH$LINK: CAS
629-99-2
CH$LINK: INCHIKEY
YKNWIILGEFFOPE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2060882
AC$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-ee53fcca7e980fdff3c3
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
27 3.97 40
29 14.5 145
39 2.38 24
41 31.69 317
42 9.54 95
43 88.68 887
44 1.27 13
53 1.03 10
54 2.28 23
55 23.94 239
56 12.09 121
57 99.99 999
58 2.57 26
67 2.15 22
68 2.32 23
69 13.16 132
70 10.15 102
71 56.48 565
72 2.16 22
82 2.04 20
83 10.07 101
84 4.45 45
85 31.77 318
86 1.28 13
97 4.69 47
98 2.61 26
99 7.15 72
111 1.72 17
112 1.62 16
113 3.67 37
126 1.71 17
127 2.39 24
140 1.02 10
141 1.77 18
155 1.69 17
169 1.43 14
//
system version 2.2.8-SNAPSHOT