MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009254
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009254
RECORD_TITLE: METHYL TRICOSANOATE; 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$NAME: METHYL TRICOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H48O2
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY
VORKGRIRMPBCCZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00179068
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$SPLASH: splash10-00du-9000000000-a6c375c666a6a1eea3fa
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
15 1.3 13
27 3.6 36
29 9.6 96
39 0.26 3
41 29.4 294
42 5.9 59
43 52.9 529
44 0.13 1
45 1.3 13
53 1.4 14
54 2.3 23
55 3.09 31
56 6.7 67
57 33.9 339
58 1.9 19
59 0.64 6
67 3.8 38
68 2.1 21
69 20.5 205
70 0.39 4
71 12.6 126
73 2.3 23
74 99.99 999
75 3.03 30
76 1.4 14
81 3.3 33
82 1.7 17
83 1.18 12
84 3.6 36
85 5.7 57
87 66.7 667
88 0.5 5
95 2.7 27
96 1.3 13
97 7.8 78
98 0.32 3
99 1.2 12
101 4.8 48
109 1.5 15
111 0.35 4
112 1 10
115 2.1 21
116 1.2 12
125 0.17 2
129 5.1 51
130 1.7 17
139 1.1 11
143 1.54 15
144 1.4 14
157 1.4 14
185 2 20
199 0.28 3
269 2 20
283 1.3 13
//