MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006770
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006770
RECORD_TITLE: ETHYLENE GLYCOL MONO-ISOBUTYL 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$NAME: ETHYLENE GLYCOL MONO-ISOBUTYL ETHER
CH$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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a6s-9000000000-b8a40d2a475e3a987c2a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 2.82 28
27 11.86 119
28 2.82 28
29 23.73 237
31 8.66 87
39 7.91 79
40 1.32 13
41 31.83 318
42 3.01 30
43 5.65 57
44 2.64 26
45 73.63 736
46 2.26 23
55 4.33 43
56 9.79 98
57 99.99 999
58 3.95 40
62 1.13 11
63 1.32 13
71 4.52 45
72 1.88 19
73 2.64 26
75 22.98 230
76 1.12 11
87 10.92 109
100 1.32 13
118 0.38 4
//