MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003696
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003696
RECORD_TITLE: ISOPROPYL ETHOXYACETATE; 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$NAME: ISOPROPYL ETHOXYACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O3
CH$EXACT_MASS: 146.09429
CH$SMILES: CCOCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C7H14O3/c1-4-9-5-7(8)10-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY
MAIDELXMDKJUOK-UHFFFAOYSA-N
AC$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$SPLASH: splash10-052f-9000000000-2540b4efeb7f7874b14d
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
12 0.1 1
13 0.1 1
14 1.3 13
15 0.64 6
16 0.5 5
17 1.8 18
18 9.7 97
19 0.11 1
20 0.2 2
25 0.1 1
26 2.6 26
27 2.87 29
28 7.9 79
29 37.2 372
30 1.7 17
31 9.21 92
32 1.2 12
33 0.4 4
36 0.1 1
37 0.02 0
38 0.5 5
39 6.5 65
40 1.3 13
41 2.65 27
42 12.6 126
43 93.3 933
44 6.5 65
45 1.92 19
46 0.5 5
47 0.4 4
49 0.5 5
51 0.02 0
55 0.7 7
56 0.2 2
57 1.5 15
58 0.13 1
59 99.99 999
60 46 460
61 6.7 67
62 0.02 0
65 0.1 1
70 0.3 3
71 0.1 1
72 0.01 0
73 5.6 56
74 0.3 3
75 1.5 15
76 0.01 0
77 0.2 2
78 0.1 1
85 0.1 1
86 0.05 1
87 0.2 2
88 2.9 29
89 0.2 2
90 0.01 0
102 12.5 125
103 4.9 49
104 0.3 3
105 0.01 0
117 0.1 1
131 0.3 3
//