MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003675
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003675
RECORD_TITLE: 1,2,4-TRIMETHOXYBUTANE; 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$NAME: 1,2,4-TRIMETHOXYBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O3
CH$EXACT_MASS: 148.10994
CH$SMILES: COCCC(OC)COC
CH$IUPAC: InChI=1S/C7H16O3/c1-8-5-4-7(10-3)6-9-2/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
CWLPBGQUGHLPBK-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0002-9100000000-14efe2441a0275b00be4
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
39 2.1 21
41 5.9 59
42 1.4 14
43 0.46 5
45 99.99 999
46 2.5 25
53 1.1 11
54 0.02 0
55 2.3 23
56 0.5 5
57 0.9 9
58 0.29 3
59 5 50
60 0.3 3
69 0.7 7
70 0.02 0
71 14.3 143
73 9.4 94
74 0.7 7
75 0.24 2
84 1 10
85 1.9 19
86 0.4 4
87 0.02 0
88 0.2 2
89 2 20
101 0.8 8
102 0.01 0
103 22.9 229
104 1.3 13
115 0.1 1
116 0.05 1
117 0.3 3
//