MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008142
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008142
RECORD_TITLE: PENTACOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
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$LINK: INCHIKEY
YKNWIILGEFFOPE-UHFFFAOYSA-N
CH$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$SPLASH: splash10-0abc-9100000000-dcb78fdbddcdb21348c1
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
41 26.73 267
42 6.13 61
43 72.43 724
53 1.37 14
54 1.82 18
55 22.44 224
56 12.33 123
57 99.99 999
58 5.62 56
67 1.38 14
68 3.21 32
69 15.34 153
70 12.17 122
71 77.74 777
72 4.71 47
81 1.82 18
82 4.67 47
83 12.65 127
84 7.9 79
85 48.88 489
86 3.12 31
96 1.18 12
97 8.99 90
98 6.34 63
99 14.53 145
111 3.84 38
112 4.26 43
113 10.2 102
125 1.99 20
126 3.91 39
127 7.07 71
140 2.14 21
141 5.23 52
154 1.97 20
155 4.27 43
168 1.39 14
169 3.15 32
182 1.61 16
183 3.45 35
196 2.05 21
197 2.08 21
210 1.36 14
211 2.23 22
225 2.09 21
239 1.75 18
253 1.22 12
267 1.17 12
295 1.31 13
352 2.16 22
//
system version 2.2.8-SNAPSHOT