MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006547
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006547
RECORD_TITLE: ETHYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL LAURATE
CH$NAME: ETHYL DODECANOATE
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 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-9100000000-3c72f0ffdafbe522391e
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
27 11.38 114
29 29.33 293
39 5.52 55
41 31.42 314
42 7.97 80
43 31.35 314
45 7.04 70
53 1.63 16
54 1.78 18
55 24.72 247
56 6.26 63
57 15.74 157
59 1.13 11
60 14.13 141
61 13.75 138
67 2.47 25
68 1.23 12
69 10.49 105
70 13.49 135
71 5.75 58
73 19.23 192
74 2.14 21
81 1.72 17
83 6.43 64
84 3.62 36
85 2.6 26
87 2.18 22
88 99.99 999
89 11.13 111
95 1.71 17
97 3.82 38
98 2.87 29
101 46.59 466
102 3.25 33
111 1.21 12
115 3.8 38
129 2.05 21
143 3.4 34
157 7.51 75
171 1.09 11
183 9.71 97
184 1.14 11
185 4.98 50
199 1.72 17
228 3.68 37
//