MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009554
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009554
RECORD_TITLE: HENEICOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: HENEICOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H44
CH$EXACT_MASS: 296.34430
CH$SMILES: CCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
CH$LINK: CAS
629-94-7
CH$LINK: INCHIKEY
FNAZRRHPUDJQCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047097
AC$INSTRUMENT: HITACHI M-80
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-9100000000-2bc507df938a82e990b1
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
14 1.04 10
18 1.94 19
26 1.47 15
27 11.56 116
28 10.51 105
29 25.76 258
32 1.94 19
39 8.41 84
40 2.14 21
41 48.31 483
42 14.14 141
43 95.34 953
44 3.31 33
53 2.61 26
54 3.48 35
55 30.06 301
56 17.04 170
57 99.99 999
58 4.5 45
67 4.28 43
68 3.06 31
69 16.21 162
70 12.39 124
71 64.53 645
72 3.66 37
74 1.37 14
81 2.08 21
82 3.56 36
83 11.71 117
84 8.43 84
85 47.67 477
86 3.22 32
87 1 10
95 1.04 10
96 1.95 20
97 8.44 84
98 5.84 58
99 15.03 150
100 1.21 12
110 1.31 13
111 4.51 45
112 4.93 49
113 10.72 107
125 2.2 22
126 4.07 41
127 8.28 83
140 3.59 36
141 6.78 68
154 2.95 30
155 5.65 57
168 2.57 26
169 4.81 48
182 2.17 22
183 4.28 43
196 1.74 17
197 3.85 39
210 1.42 14
211 3.41 34
224 1.14 11
225 3.04 30
239 2.76 28
253 1.64 16
296 10.09 101
297 2.37 24
//
system version 2.2.8-SNAPSHOT