MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002574
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002574
RECORD_TITLE: METHYL ACETOACETATE; 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$NAME: METHYL ACETOACETATE
CH$NAME: 3-OXOBUTANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O3
CH$EXACT_MASS: 116.04734
CH$SMILES: COC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
CH$LINK: INCHIKEY
WRQNANDWMGAFTP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9026716
AC$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: splash10-0006-9000000000-e4481e7d9e6ac8fc177b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
14 2.28 23
15 16.1 161
26 1.47 15
27 4.37 44
28 3.09 31
29 3.79 38
31 3.19 32
39 1.74 17
41 1.28 13
42 11.31 113
43 99.99 999
44 2.92 29
57 2.28 23
58 1.06 11
59 11.15 112
69 6.86 69
74 7.89 79
84 1.82 18
85 10.88 109
86 1.18 12
88 2.61 26
101 4.89 49
116 9.22 92
//
system version 2.2.8-SNAPSHOT