MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010779
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010779
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$LINK: INCHIKEY
MMXKVMNBHPAILY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4047044
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9300000000-53980699cddfb543d2db
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
29 1.7 17
43 3.7 37
45 2.7 27
55 0.17 2
57 5 50
60 5.3 53
61 8.3 83
69 0.23 2
70 8.6 86
71 2.3 23
73 8.6 86
74 0.13 1
83 2 20
84 2.3 23
85 2 20
87 0.17 2
88 99.99 999
89 13.3 133
90 1 10
95 0.1 1
97 2 20
98 2 20
101 35.5 355
102 0.37 4
111 1 10
115 4.7 47
129 3 30
130 0.1 1
143 5 50
144 1 10
157 9 90
158 0.13 1
171 2 20
183 8.6 86
184 1.3 13
185 0.66 7
199 2.7 27
228 15.9 159
229 2.7 27
//