MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003694
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003694
RECORD_TITLE: ETHYL ISOPROPOXYACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL ISOPROPOXYACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O3
CH$EXACT_MASS: 146.09429
CH$SMILES: CCOC(=O)COC(C)C
CH$IUPAC: InChI=1S/C7H14O3/c1-4-9-7(8)5-10-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY
JECQALZMHMNOLO-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006x-9000000000-def524742f2affe6d644
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
13 0.1 1
14 0.7 7
15 3 30
16 0.02 0
17 0.1 1
18 0.3 3
19 1 10
25 0.06 1
26 1.3 13
27 17.5 175
28 6.5 65
29 2.81 28
30 1.3 13
31 16 160
32 1 10
33 0.02 0
36 0.1 1
37 0.1 1
38 0.4 4
39 0.49 5
40 1.1 11
41 19.6 196
42 15 150
43 99.99 999
44 4.4 44
45 38.2 382
46 0.9 9
47 0.23 2
49 0.1 1
51 0.3 3
52 0.1 1
53 0.01 0
55 3.2 32
56 0.2 2
57 3.2 32
58 0.13 1
59 16.2 162
60 12.6 126
61 11.1 111
62 0.03 0
63 0.1 1
69 0.1 1
70 5.6 56
71 0.19 2
72 0.6 6
73 71.1 711
74 3.2 32
75 1.11 11
76 0.7 7
77 0.6 6
78 0.1 1
79 0.01 0
85 0.2 2
86 0.1 1
87 1.8 18
88 4.84 48
89 2.6 26
90 0.3 3
99 0.1 1
100 0.01 0
101 0.3 3
103 5.2 52
104 0.4 4
112 0.01 0
117 0.5 5
131 5 50
132 0.4 4
133 0.01 0
145 0.6 6
//