MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007272
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007272
RECORD_TITLE: ETHYL 5-METHOXY-3-OXOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 5-METHOXY-3-OXOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O4
CH$EXACT_MASS: 174.08921
CH$SMILES: COCCC(=O)CC(=O)OCC
CH$IUPAC: InChI=1S/C8H14O4/c1-3-12-8(10)6-7(9)4-5-11-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
HDTMYNBYBPPREL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60617774
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f72-9300000000-8501bf80ac815e18e91a
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
39 2.1 21
40 1.8 18
41 6.1 61
42 0.32 3
43 29 290
44 1.8 18
45 99.99 999
46 0.7 7
55 38.9 389
56 5.2 52
57 4.3 43
58 1.76 18
59 12.2 122
60 4.3 43
61 3.3 33
68 0.47 5
69 14.5 145
70 5.4 54
71 8.3 83
72 0.34 3
73 2.6 26
82 2.1 21
83 4.5 45
84 0.19 2
85 22.1 221
86 4.3 43
87 81.7 817
88 1.15 12
96 6.5 65
97 10.7 107
98 15.3 153
99 0.19 2
100 84 840
101 18.3 183
110 1.9 19
113 0.59 6
114 5.9 59
115 13.7 137
117 2.1 21
127 0.47 5
128 2.3 23
129 16.8 168
131 2.5 25
142 1.07 11
143 5.5 55
144 1.8 18
145 2.3 23
156 0.63 6
157 1.8 18
159 3.2 32
173 1 10
174 3 30
//