MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010761
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010761
RECORD_TITLE: ETHYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O2
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
CH$LINK: COMPTOX
DTXSID4047044
CH$LINK: INCHIKEY
MMXKVMNBHPAILY-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7800
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-000i-9200000000-9c0b8381b214359f116b
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
27 7.3 73
28 2.6 26
29 22.7 227
39 0.33 3
40 1.1 11
41 24.9 249
42 7 70
43 2.67 27
44 1.1 11
45 7.3 73
53 1.8 18
54 0.18 2
55 17.6 176
56 4.4 44
57 14.7 147
59 0.11 1
60 12.1 121
61 14.7 147
67 2.2 22
68 0.15 2
69 8.8 88
70 13.2 132
71 5.1 51
73 1.47 15
74 2.2 22
81 1.8 18
82 1.1 11
83 0.59 6
84 3.7 37
85 3.3 33
87 2.2 22
88 99.99 999
89 12.8 128
90 1.1 11
95 2.2 22
97 0.44 4
98 2.9 29
101 38.8 388
102 3.7 37
109 0.15 2
111 1.5 15
115 4.8 48
125 1.1 11
129 0.33 3
130 1.1 11
143 4.8 48
144 1.1 11
157 0.84 8
158 1.1 11
171 1.5 15
183 9.9 99
184 0.15 2
185 5.9 59
186 1.5 15
199 2.2 22
228 1.5 15
229 2.6 26
//