MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009028
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009028
RECORD_TITLE: ETHYL ACETOACETATE; 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$NAME: ETHYL ACETOACETATE
CH$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$LINK: CAS
141-97-9
CH$LINK: INCHIKEY
XYIBRDXRRQCHLP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2027092
AC$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: splash10-0006-9000000000-4a1188d69a9a3efd5ef8
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
14 1.24 12
15 6.35 64
26 2.46 25
27 14.3 143
29 21.44 214
31 5.33 53
39 1.39 14
41 1.52 15
42 15.7 157
43 99.99 999
44 2.05 21
45 4.88 49
58 2.38 24
60 10.03 100
61 4.07 41
69 4.74 47
70 1.37 14
73 1.33 13
84 2.56 26
85 14.88 149
87 3.69 37
88 17.95 180
102 3.42 34
115 1.36 14
130 5.73 57
//