MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004758
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004758
RECORD_TITLE: DIMETHYL ETHYL(2-OXOPROPYL)MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYL ETHYL(2-OXOPROPYL)MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O5
CH$EXACT_MASS: 216.09977
CH$SMILES: COC(=O)C(CC)(CC(C)=O)C(=O)OC
CH$IUPAC: InChI=1S/C10H16O5/c1-5-10(6-7(2)11,8(12)14-3)9(13)15-4/h5-6H2,1-4H3
CH$LINK: INCHIKEY
PBRWHUUBOYQIEO-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-054o-7900000000-0ced305c2a338fc13791
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
41 5.05 51
42 2.32 23
43 99.99 999
44 2.98 30
45 3.05 31
53 4.85 49
54 2.66 27
55 15.91 159
56 1.01 10
58 3.46 35
59 24.18 242
69 1.92 19
71 3.77 38
79 1.05 11
81 6.34 63
82 4.13 41
83 10.54 105
85 1.74 17
95 3.38 34
97 2.44 24
99 3.61 36
113 20.31 203
114 10.96 110
115 12.5 125
124 2.69 27
125 29.95 300
126 2.56 26
127 52.15 522
128 3.73 37
129 2.67 27
141 10.31 103
142 5.93 59
145 14.34 143
146 1.22 12
155 1.2 12
156 1.05 11
157 3.5 35
159 43.4 434
160 3.39 34
173 1.49 15
184 1.1 11
185 9.51 95
201 1.26 13
216 0.06 1
//
system version 2.2.6-SNAPSHOT