MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003358
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003358
RECORD_TITLE: BIS(BUTOXYETHYL)ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: BIS(BUTOXYETHYL)ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26O3
CH$EXACT_MASS: 218.18819
CH$SMILES: CCCCOCCOCCOCCCC
CH$IUPAC: InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY
KZVBBTZJMSWGTK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8025046
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4j-9000000000-e1ff851d7bfa51173645
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
44 7.6 76
45 75.3 753
54 7.8 78
55 23.3 233
56 99.99 999
57 4.7 47
58 12.1 121
71 0.4 4
72 6 60
73 4.2 42
75 12.9 129
85 1.18 12
87 6.7 67
89 5.4 54
100 10.5 105
101 1.32 13
103 2.5 25
131 2.2 22
144 1.6 16
145 0.26 3
219 1.8 18
//