MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003686
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003686
RECORD_TITLE: PENTAERYTHRO-TETRAMETHYL ETHER; 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$NAME: PENTAERYTHRO-TETRAMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H20O4
CH$EXACT_MASS: 192.13616
CH$SMILES: COCC(COC)(COC)COC
CH$IUPAC: InChI=1S/C9H20O4/c1-10-5-9(6-11-2,7-12-3)8-13-4/h5-8H2,1-4H3
CH$LINK: INCHIKEY
MBXZBSXAFUVONM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80550679
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: splash10-004j-9000000000-0adf6f637ed06ceae6ca
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
39 4.5 45
41 15.3 153
42 3.8 38
43 0.7 7
45 69.7 697
46 2 20
47 1.8 18
53 0.22 2
54 2.1 21
55 18.3 183
56 4 40
57 0.19 2
58 6.7 67
59 3.3 33
67 1.7 17
68 0.05 1
69 4 40
70 1 10
71 30.5 305
72 0.32 3
73 1.5 15
75 99.99 999
76 4.2 42
77 0.11 1
81 0.4 4
82 1.2 12
83 6 60
84 1.08 11
85 24.3 243
86 2.6 26
87 3.9 39
97 0.46 5
98 5.2 52
99 1.3 13
100 0.8 8
101 0.59 6
102 1 10
113 3.1 31
114 1 10
115 0.59 6
116 1.6 16
117 1.4 14
128 23 230
129 2.1 21
//
system version 2.2.8-SNAPSHOT