MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009253
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009253
RECORD_TITLE: METHYL DOCOSANOATE; 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$NAME: METHYL DOCOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H46O2
CH$EXACT_MASS: 354.34978
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
CH$LINK: INCHIKEY
QSQLTHHMFHEFIY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6029206
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$SPLASH: splash10-00du-9000000000-f3512c578e91df42b926
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
15 1.4 14
27 4.5 45
29 10.3 103
39 0.29 3
41 31.5 315
42 7 70
43 51.4 514
44 0.12 1
45 1.3 13
53 1.6 16
54 2.2 22
55 3.24 32
56 7.8 78
57 31.8 318
58 1.5 15
59 0.79 8
60 1.6 16
67 4.9 49
68 2.7 27
69 2.62 26
70 4.5 45
71 11.6 116
73 2.9 29
74 99.99 999
75 28.5 285
76 1.2 12
79 1.1 11
81 0.67 7
82 1.9 19
83 12.1 121
84 3.5 35
85 0.58 6
87 64.7 647
88 5.6 56
93 1.2 12
95 0.3 3
96 1.4 14
97 8.8 88
98 3.1 31
101 0.57 6
109 1.6 16
111 3 30
115 1.9 19
121 0.12 1
123 1 10
125 1.6 16
129 5.9 59
130 0.16 2
137 1 10
143 15 150
144 1.4 14
157 0.14 1
185 1.9 19
199 2.8 28
255 2.2 22
269 1.1 11
//