MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010627
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010627
RECORD_TITLE: ETHYL LEVULINATE; 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$NAME: ETHYL LEVULINATE
CH$NAME: BETA-ACETYLPROPIONIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O3
CH$EXACT_MASS: 144.07864
CH$SMILES: CCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
CH$LINK: INCHIKEY
GMEONFUTDYJSNV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8047058
AC$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: splash10-0007-9300000000-a4475e8effea84591152
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 1.2 12
28 3.7 37
29 14.1 141
30 0.18 2
42 1.2 12
43 99.99 999
44 3.1 31
45 1.41 14
55 8 80
56 8.6 86
57 12.3 123
58 0.31 3
61 1.8 18
71 12.9 129
72 2.5 25
73 1.6 16
74 32.5 325
75 9.2 92
81 1.3 13
84 0.18 2
89 1.3 13
98 17.2 172
99 96.3 963
100 0.67 7
101 24.5 245
102 30.7 307
103 2.5 25
116 0.18 2
129 33.1 331
130 3.1 31
144 18.4 184
145 1.8 18
//