MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006771
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006771
RECORD_TITLE: ETHYLENE GLYCOL MONO-TERT-BUTYL 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$NAME: ETHYLENE GLYCOL MONO-TERT-BUTYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: OCCOC(C)(C)C
CH$IUPAC: InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3
CH$LINK: INCHIKEY
BDLXTDLGTWNUFM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4073384
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$SPLASH: splash10-0a4i-9000000000-a35968ddb62603447a67
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 3.36 34
27 7.18 72
28 2.32 23
29 17.61 176
31 8.81 88
39 6.14 61
40 1.39 14
41 29.43 294
42 3.13 31
43 6.26 63
45 16.11 161
55 2.67 27
56 11.83 118
57 99.99 999
58 4.4 44
59 67.55 676
60 2.32 23
87 5.79 58
88 1.39 14
103 26.07 261
104 1.85 19
//