MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009887
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009887
RECORD_TITLE: METHYL 5-METHYL-8-OXO-4-DECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 5-METHYL-8-OXO-4-DECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O3
CH$EXACT_MASS: 212.14124
CH$SMILES: CCC(=O)CCC(C)=CCCC(=O)OC
CH$IUPAC: InChI=1S/C12H20O3/c1-4-11(13)9-8-10(2)6-5-7-12(14)15-3/h6H,4-5,7-9H2,1-3H3/b10-6+
CH$LINK: INCHIKEY
KQXMJPIJJDMVKD-UXBLZVDNSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0a4i-9300000000-65ee1489ac305963af31
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
27 5.8 58
29 30.5 305
39 5.2 52
41 14 140
43 10 100
45 2 20
53 7.2 72
55 15 150
57 99.99 999
58 5 50
59 10.2 102
65 1.2 12
67 10.6 106
68 1.7 17
69 2.3 23
72 5.2 52
74 6.8 68
77 2.2 22
79 8 80
80 7.2 72
81 60.6 606
82 10 100
83 2.7 27
85 2.2 22
91 1 10
93 2.2 22
94 1.2 12
95 25.2 252
96 4.5 45
97 3.6 36
98 7.8 78
99 15.5 155
105 2 20
107 1.2 12
108 9.2 92
109 16 160
110 1.2 12
113 2.2 22
120 3 30
121 6.2 62
123 28.3 283
124 10 100
125 14.8 148
151 4.4 44
152 4.3 43
155 4.8 48
163 1.5 15
165 1.5 15
180 2.3 23
181 8.5 85
194 20.7 207
195 1.5 15
212 16 160
213 1.2 12
//