MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010864
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010864
RECORD_TITLE: EICOSANO1C 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$NAME: EICOSANO1C ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H40O2
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
CH$LINK: INCHIKEY
VKOBVWXKNCXXDE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1060134
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$SPLASH: splash10-0596-9100000000-53a544b7fbf2ee3b176a
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
27 9.3 93
39 7.1 71
41 67.7 677
42 12.5 125
43 99.99 999
45 6.6 66
53 4 40
54 5.5 55
55 66.5 665
56 12.4 124
57 81 810
58 1.2 12
59 2.2 22
60 79.8 798
61 21.5 215
67 7.8 78
68 6.3 63
69 28.6 286
70 8.6 86
71 29 290
72 2.9 29
73 87 870
74 6.7 67
79 1.9 19
81 6.2 62
82 5.8 58
83 22.3 223
84 9.8 98
85 19.5 195
87 14.3 143
88 2.1 21
95 4.3 43
96 4.3 43
97 17.3 173
98 10.7 107
99 6.3 63
101 6.6 66
102 2.4 24
109 1.7 17
110 1.8 18
112 3.4 34
113 3.9 39
115 9.1 91
116 5.1 51
125 4.6 46
126 1.2 12
127 2.1 21
129 24.5 245
130 2.7 27
139 1.8 18
141 1.2 12
143 2.8 28
157 3.3 33
171 5.1 51
185 6.6 66
199 1.3 13
213 5.7 57
227 4.1 41
241 1.8 18
255 1.2 12
269 9.4 94
270 1.7 17
283 1.5 15
//