MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006135
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006135
RECORD_TITLE: ETHYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL DECANOATE
CH$NAME: ETHYL CAPRATE
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-80
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-9200000000-ccb786480bd2de37f0dc
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
29 7.02 70
41 3.11 31
42 1.22 12
43 14.95 150
45 6.34 63
55 5.66 57
56 1.67 17
57 8.38 84
60 13.91 139
61 16.14 161
69 6.36 64
70 13.76 138
71 6.18 62
73 15.4 154
74 1.83 18
81 1.24 12
83 2.77 28
84 2.82 28
85 2.82 28
87 2.14 21
88 99.99 999
89 9.11 91
97 2.01 20
98 1.91 19
101 32.1 321
102 2.76 28
115 4.7 47
129 1.63 16
143 2.36 24
155 7.35 74
157 6.2 62
200 1.61 16
201 0.42 4
//