MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010913
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010913
RECORD_TITLE: ETHYL UNDECANOATE; 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$NAME: ETHYL UNDECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O2
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY
IAFQYUQIAOWKSB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6060846
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$SPLASH: splash10-000l-9100000000-0c6e446855e040b6121c
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
16 1.2 12
26 1.1 11
27 12.2 122
29 28.3 283
30 1.1 11
31 1.6 16
39 5.7 57
41 32.4 324
42 8.9 89
43 31.4 314
45 7.6 76
53 1.9 19
54 1.8 18
55 23.3 233
56 5.3 53
57 14.2 142
59 1.3 13
60 17.9 179
61 14.9 149
67 2.5 25
68 1.6 16
69 10.2 102
70 13.2 132
71 4.7 47
73 19.6 196
74 2.2 22
81 1.8 18
82 1.2 12
83 5.7 57
84 3.8 38
85 3.7 37
87 2.6 26
88 99.99 999
89 8.6 86
95 2.1 21
97 3.1 31
98 3.2 32
101 43 430
102 3.4 34
111 1.1 11
115 4.9 49
129 2.2 22
143 3.7 37
157 5.5 55
169 10.6 106
170 1.3 13
171 4.4 44
185 1.4 14
214 3.2 32
//