MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003707
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003707
RECORD_TITLE: BUTYL METHYL 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$NAME: BUTYL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12O
CH$EXACT_MASS: 88.08882
CH$SMILES: CCCCOC
CH$IUPAC: InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
CH$LINK: COMPTOX
DTXSID5074559
CH$LINK: INCHIKEY
CXBDYQVECUFKRK-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:12338
AC$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$SPLASH: splash10-0002-9000000000-4c78cc8000e492e0afaf
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 5.9 59
26 1.1 11
27 8 80
28 0.43 4
29 10.9 109
31 1.4 14
39 4.3 43
40 0.05 1
41 8.6 86
42 0.9 9
43 0.9 9
44 0.09 1
45 99.99 999
46 1.6 16
47 2 20
55 0.14 1
56 17.3 173
57 1.4 14
88 3.2 32
//
system version 2.2.8-SNAPSHOT