MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009248
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009248
RECORD_TITLE: TETRACOSANOIC ACID; 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$NAME: TETRACOSANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H48O2
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
CH$LINK: INCHIKEY
QZZGJDVWLFXDLK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021664
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$SPLASH: splash10-07bf-9000000000-2ae141518702212751a7
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
27 5.9 59
28 1.9 19
29 18.6 186
39 0.53 5
40 1 10
41 49.4 494
42 10 100
43 99.99 999
44 2.6 26
45 6.9 69
53 1.9 19
54 0.38 4
55 58.1 581
56 13.7 137
57 81.7 817
58 0.38 4
59 3.2 32
60 58.6 586
61 22.4 224
67 0.57 6
68 5.4 54
69 39.1 391
70 8.6 86
71 3.63 36
72 2.2 22
73 62.9 629
74 4.8 48
79 0.16 2
81 4.4 44
82 4.9 49
83 25.9 259
84 0.76 8
85 18.9 189
86 1.7 17
87 9.6 96
88 0.13 1
89 1.3 13
93 1.3 13
95 3.9 39
96 0.36 4
97 15.6 156
98 8.9 89
99 3.6 36
100 0.1 1
101 5 50
102 1.8 18
107 1.1 11
109 0.23 2
110 2 20
111 7.1 71
112 2.7 27
113 0.24 2
115 5.8 58
116 3.8 38
121 1.3 13
123 0.13 1
124 1.2 12
125 3.8 38
126 1.4 14
127 0.18 2
129 19.4 194
130 2.2 22
135 1.3 13
139 0.2 2
141 1.2 12
143 1.8 18
153 1.5 15
154 0.19 2
157 1.3 13
167 1.1 11
171 2.5 25
185 0.37 4
213 1.3 13
227 1.2 12
241 1.2 12
269 0.21 2
283 1.2 12
325 3.6 36
326 1.1 11
340 0.15 2
368 37.4 374
369 9.4 94
370 1.7 17
//