MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010608
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010608
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002g-9100000000-58314b79e586dde6ec61
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 6.1 61
26 2.7 27
27 14.6 146
28 0.92 9
29 21.1 211
30 1.7 17
31 1.7 17
39 0.17 2
41 1.4 14
42 5.4 54
43 99.99 999
44 0.24 2
45 9.2 92
55 9.5 95
56 7.5 75
57 0.75 8
58 1.7 17
61 1.4 14
71 8.8 88
72 0.14 1
73 12.2 122
74 19.4 194
75 5.8 58
81 0.1 1
89 1 10
98 8.2 82
99 55.3 553
100 0.37 4
101 15.6 156
102 13.6 136
103 1 10
116 0.1 1
129 14.9 149
130 1.4 14
144 8.5 85
145 1 10
//