MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007195
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007195
RECORD_TITLE: ETHYL DECANOATE; 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$NAME: ETHYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O2
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY
RGXWDWUGBIJHDO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0044363
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$SPLASH: splash10-000l-9100000000-7ac6d7b76bef37c40833
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
27 13.24 132
29 30.53 305
39 6.83 68
41 30.32 303
42 8.68 87
43 27.6 276
45 8.66 87
53 1.7 17
54 1.62 16
55 20.26 203
56 5.04 50
57 11.93 119
59 1.2 12
60 19.63 196
61 16.17 162
67 1.9 19
68 1.53 15
69 10.82 108
70 14.45 145
71 8.63 86
73 19.58 196
74 2.47 25
81 1.8 18
83 4.09 41
84 3.46 35
85 3.43 34
87 2.69 27
88 99.99 999
89 9.23 92
95 1.5 15
97 2.65 27
98 2.28 23
101 40.86 409
102 2.97 30
115 5.95 60
129 2 20
143 2.86 29
155 14.77 148
156 1.29 13
157 10.15 102
171 1.36 14
200 2.68 27
//