MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010123
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010123
RECORD_TITLE: BIS(3-METHYL-3-BUTENYL) MALONATE; 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$NAME: BIS(3-METHYL-3-BUTENYL) MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O4
CH$EXACT_MASS: 240.13616
CH$SMILES: CC(=C)CCOC(=O)CC(=O)OCCC(C)=C
CH$IUPAC: InChI=1S/C13H20O4/c1-10(2)5-7-16-12(14)9-13(15)17-8-6-11(3)4/h1,3,5-9H2,2,4H3
CH$LINK: INCHIKEY
GGLFCLVHOQEERG-UHFFFAOYSA-N
AC$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: splash10-014i-9400000000-cfca6a49ad2d8233252a
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
27 3.9 39
29 2.4 24
38 0.8 8
40 0.28 3
41 32.7 327
42 2.4 24
43 2.8 28
44 0.31 3
51 0.8 8
53 8.7 87
54 0.8 8
55 0.28 3
56 1.2 12
59 0.8 8
65 1.2 12
66 0.08 1
67 12.6 126
68 15.7 157
69 99.99 999
70 0.87 9
79 0.8 8
81 9.8 98
82 1.2 12
83 0.08 1
85 5.9 59
93 0.8 8
95 3.1 31
107 0.08 1
109 4.7 47
110 1.6 16
111 3.9 39
117 0.24 2
125 1.2 12
126 24.4 244
127 7.1 71
128 0.28 3
135 1.2 12
136 11.8 118
137 1.6 16
152 0.08 1
153 3.5 35
154 5.5 55
155 0.8 8
170 0.08 1
171 3.1 31
172 25.2 252
173 2.8 28
240 2.4 24
//