MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008924
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008924
RECORD_TITLE: ETHYLENE GLYCOL MONOISOBUTYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYLENE GLYCOL MONOISOBUTYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: OCCOCC(C)C
CH$IUPAC: InChI=1S/C6H14O2/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY
HHAPGMVKBLELOE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3063469
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4j-9000000000-e6e8f6d4a6ff54b7f110
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 1 10
29 10.3 103
31 3.1 31
41 1.92 19
42 1.5 15
43 2.8 28
45 62.6 626
46 0.18 2
55 2.8 28
56 9.6 96
57 99.99 999
58 0.45 5
59 3.4 34
61 1 10
62 1.3 13
63 0.16 2
71 4 40
72 2.1 21
73 3 30
75 2.28 23
76 1.2 12
87 10.5 105
100 1.2 12
//