MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003393
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003393
RECORD_TITLE: DIBUTOXYETHOXYETHYL ADIPATE; 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$NAME: DIBUTOXYETHOXYETHYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H42O8
CH$EXACT_MASS: 434.28797
CH$SMILES: CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
CH$IUPAC: InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY
SCABKEBYDRTODC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3027085
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$SPLASH: splash10-0a4j-9200000000-a57be660ec537332b733
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
44 14.5 145
45 80.9 809
46 2.2 22
54 20 200
55 38.1 381
56 99.99 999
57 5.8 58
58 1.04 10
59 3.1 31
69 2 20
71 7.1 71
72 2.17 22
73 13.2 132
75 10.5 105
83 6.7 67
84 0.5 5
85 17.8 178
86 2.6 26
87 10.9 109
88 0.39 4
89 16.7 167
99 11.4 114
100 19.9 199
101 2.26 23
111 12.7 127
112 2.4 24
113 2.7 27
115 0.26 3
129 5.5 55
131 4 40
143 3.3 33
144 0.61 6
145 11.9 119
149 2.3 23
155 11.7 117
157 0.44 4
159 2 20
161 3.9 39
163 8.8 88
173 1.51 15
174 2 20
185 2 20
187 2.8 28
201 0.37 4
217 16.7 167
218 2.2 22
250 0.2 2
255 3.7 37
261 8.7 87
273 5.3 53
317 8.2 82
435 2 20
//
system version 2.2.6-SNAPSHOT