MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003352
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003352
RECORD_TITLE: TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE; 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$NAME: TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O6
CH$EXACT_MASS: 346.23554
CH$SMILES: CCC(C)CC(=O)OCCOCCOCCOC(=O)CC(C)CC
CH$IUPAC: InChI=1S/C18H34O6/c1-5-15(3)13-17(19)23-11-9-21-7-8-22-10-12-24-18(20)14-16(4)6-2/h15-16H,5-14H2,1-4H3
CH$LINK: INCHIKEY
NGWFBGFXMJOQFK-UHFFFAOYSA-N
AC$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: splash10-0006-9300000000-e0e85d2cea0dd8e4e7b9
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
43 95.3 953
44 6.3 63
45 23.5 235
53 0.28 3
54 17 170
56 3.7 37
57 3.7 37
69 0.53 5
70 9.5 95
71 99.99 999
72 5.3 53
73 0.91 9
86 4.8 48
87 2 20
88 3.6 36
89 0.3 3
98 7.8 78
99 53.3 533
100 3.8 38
101 0.2 2
113 8.8 88
114 3.5 35
115 3 30
127 0.62 6
142 19.8 198
143 96.6 966
144 9 90
173 0.17 2
186 1.6 16
//