MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003334
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003334
RECORD_TITLE: TRIBUTYL 2-CARBOXYMETHYL-1,2,3-PROPANE TRICARBOXYLATE; 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$NAME: TRIBUTYL 2-CARBOXYMETHYL-1,2,3-PROPANE TRICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H34O8
CH$EXACT_MASS: 402.22537
CH$SMILES: CCCCOC(=O)CC(CC(O)=O)(CC(=O)OCCCC)C(=O)OCCCC
CH$IUPAC: InChI=1S/C20H34O8/c1-4-7-10-26-17(23)14-20(13-16(21)22,19(25)28-12-9-6-3)15-18(24)27-11-8-5-2/h4-15H2,1-3H3,(H,21,22)
CH$LINK: INCHIKEY
MEGBKXNZEWVUBQ-UHFFFAOYSA-N
AC$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: splash10-0a4u-9741000000-56e6f9e6a83d6d6abfb1
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
43 99.99 999
44 56 560
45 4.4 44
50 2.7 27
51 2.3 23
53 3.1 31
54 18.9 189
55 4.53 45
56 56.8 568
57 2.5 25
59 3.9 39
60 0.37 4
64 3.1 31
66 3.3 33
69 2.9 29
72 0.27 3
84 6.4 64
85 3.1 31
87 5.2 52
101 0.25 3
102 5.8 58
103 5.3 53
111 7 70
112 2.26 23
113 7.6 76
115 2.3 23
129 47.2 472
130 0.33 3
138 3.9 39
139 13.8 138
140 2.3 23
141 0.31 3
142 3.7 37
147 6.2 62
156 13.2 132
157 2.63 26
158 7.4 74
168 3.5 35
185 93.3 933
186 1.05 11
203 4.6 46
212 6.4 64
213 12.6 126
217 0.52 5
241 2.3 23
259 90.4 904
260 12.3 123
268 0.44 4
269 8.7 87
273 7.4 74
301 4.1 41
302 0.6 6
329 18.5 185
330 3.7 37
342 3.7 37
343 0.23 2
347 1.9 19
403 2.1 21
//