MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010626
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010626
RECORD_TITLE: METHYL 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$NAME: METHYL LEVULINATE
CH$NAME: BETA-ACETYLPROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O3
CH$EXACT_MASS: 130.06299
CH$SMILES: COC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY
UAGJVSRUFNSIHR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80211455
AC$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: splash10-0007-9200000000-691ce72acd41e468f682
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 2 20
27 1 10
28 2.6 26
29 0.2 2
41 1.5 15
42 1.5 15
43 99.99 999
44 0.2 2
45 1.5 15
55 15.8 158
56 5.1 51
57 1.58 16
58 1 10
59 10.2 102
60 1 10
71 0.82 8
75 2 20
81 1 10
87 7.7 77
88 1.99 20
89 1.5 15
98 11.2 112
99 41.8 418
100 0.26 3
115 33.2 332
116 2 20
130 12.8 128
//