MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003680
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003680
RECORD_TITLE: 1,2,3,4-TETRAMETHOXYBUTANE; 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$NAME: 1,2,3,4-TETRAMETHOXYBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O4
CH$EXACT_MASS: 178.12051
CH$SMILES: COCC(OC)C(OC)COC
CH$IUPAC: InChI=1S/C8H18O4/c1-9-5-7(11-3)8(12-4)6-10-2/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY
UOTINMFZLVZNEW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50337398
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: splash10-052b-9000000000-01f2062cef7485d8e4ba
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
39 1.9 19
41 6.8 68
42 1.6 16
43 0.81 8
44 1.6 16
45 99.99 999
46 2.2 22
47 0.29 3
53 0.7 7
55 1.4 14
56 1 10
57 0.16 2
58 28.1 281
59 35.4 354
60 1.7 17
69 0.08 1
71 12.4 124
72 2.5 25
73 9.4 94
74 0.18 2
75 42.7 427
76 1.4 14
85 1 10
87 0.15 2
88 27.7 277
89 21.2 212
90 1.1 11
101 3.96 40
102 3.2 32
103 4.8 48
104 0.8 8
115 1.1 11
119 1.4 14
120 0.09 1
133 8.2 82
134 0.5 5
146 0.21 2
//