MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005909
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005909
RECORD_TITLE: ETHYL 3-OXOBUTANOATE; 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$NAME: ETHYL 3-OXOBUTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O3
CH$EXACT_MASS: 130.06299
CH$SMILES: CCOC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
CH$LINK: INCHIKEY
XYIBRDXRRQCHLP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2027092
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$SPLASH: splash10-000f-9000000000-aad3ec5cf145a6891816
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 1.66 17
28 1.02 10
29 18.49 185
31 3.84 38
42 4.22 42
43 99.99 999
44 2.43 24
45 5.62 56
46 1.28 13
56 1.02 10
58 5.76 58
60 12.66 127
61 6.65 67
69 4.99 50
70 2.94 29
73 2.55 26
84 6.52 65
85 21.74 217
86 1.53 15
87 4.86 49
88 34.01 340
89 1.79 18
102 5.88 59
115 3.19 32
130 15.86 159
131 1.28 13
//