MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005422
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005422
RECORD_TITLE: ETHYL ACETYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL ACETYLACETATE
CH$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-7M
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: splash10-0006-9000000000-f40d68840be65d2cc6bd
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
14 1.7 17
15 7.61 76
26 2.84 28
27 9.83 98
28 1.14 11
29 20.11 201
31 14.2 142
39 1.14 11
41 3.3 33
42 10.68 107
43 99.99 999
44 3.58 36
45 10.23 102
46 2.95 30
58 2.84 28
60 8.3 83
61 3.86 39
69 12.67 127
70 2.44 24
73 1.42 14
84 14.83 148
85 19.89 199
86 1.25 13
87 3.01 30
88 19.43 194
102 3.69 37
103 1.08 11
115 1.36 14
130 5.45 55
131 6.48 65
//