MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006773
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006773
RECORD_TITLE: ETHYLENE GLYCOL BIS(PROPIONITRILE) 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$NAME: ETHYLENE GLYCOL BIS(PROPIONITRILE) ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12N2O2
CH$EXACT_MASS: 168.08988
CH$SMILES: N#CCCOCCOCCC#N
CH$IUPAC: InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2
CH$LINK: INCHIKEY
VTHRQKSLPFJQHN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0044656
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$SPLASH: splash10-0ue9-9000000000-8e7dde93da89b12df68d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
26 3.4 34
27 11.9 119
28 11.22 112
29 7.14 71
31 18.03 180
32 2.38 24
39 1.02 10
40 2.38 24
41 4.08 41
42 2.04 20
43 5.78 58
44 3.4 34
45 22.79 228
46 1.02 10
51 1.36 14
52 2.38 24
53 1.36 14
54 99.99 999
55 10.2 102
56 1.7 17
57 2.38 24
58 1.02 10
66 1.02 10
68 2.72 27
70 1.7 17
71 1.02 10
72 2.04 20
84 42.52 425
85 7.14 71
97 10.54 105
98 14.29 143
99 3.74 37
128 2.04 20
138 2.04 20
141 6.8 68
142 1.02 10
//