MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002805
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002805
RECORD_TITLE: TRI-(2-BUTOXYETHYL)-PHOSPHATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: TRI-(2-BUTOXYETHYL)-PHOSPHATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H39O7P
CH$EXACT_MASS: 398.24334
CH$SMILES: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
CH$IUPAC: InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
CH$LINK: INCHIKEY
WTLBZVNBAKMVDP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021758
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4j-9410000000-f5feea9eb439b65c51e5
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
30 3.4 34
31 4.7 47
35 1 10
36 0.8 8
37 0.9 9
38 3.6 36
39 6.7 67
40 0.51 5
41 59.5 595
42 6.9 69
43 12.3 123
44 2.06 21
45 96.3 963
46 5.2 52
47 1.4 14
50 0.15 2
51 1 10
52 0.9 9
53 1.7 17
54 0.05 1
55 23.2 232
56 90.3 903
57 99.99 999
58 1.01 10
59 4.7 47
60 2.8 28
61 1.6 16
63 0.29 3
65 3.5 35
67 1.5 15
68 1.5 15
69 0.44 4
70 3.6 36
71 6.1 61
72 3.7 37
73 0.47 5
75 1.9 19
76 1 10
77 3.7 37
79 0.32 3
80 0.8 8
81 5.7 57
82 5 50
83 0.17 2
84 2.3 23
85 90.1 901
86 7.4 74
87 0.45 5
89 1.8 18
91 2.2 22
92 0.6 6
93 0.01 0
94 1.3 13
95 3.1 31
96 1.5 15
97 0.28 3
98 3.3 33
99 32 320
100 43.4 434
101 7.29 73
102 5.9 59
103 1.1 11
104 0.6 6
105 0.02 0
107 3.7 37
108 4.2 42
109 2.9 29
111 0.11 1
112 5.7 57
113 11.3 113
115 0.9 9
118 0.07 1
119 1.5 15
122 1.2 12
123 4 40
125 6.39 64
126 5.2 52
127 10.6 106
128 1 10
129 0.15 2
131 1.3 13
132 1.4 14
133 1.1 11
135 0.28 3
138 3 30
139 10.8 108
140 3.1 31
141 0.53 5
143 10 100
149 4.7 47
150 1.6 16
151 0.05 1
152 5.1 51
153 27 270
154 13.7 137
155 2.59 26
156 2.8 28
157 4.6 46
161 0.7 7
165 0.12 1
167 2.8 28
168 1.1 11
169 5.3 53
171 0.72 7
173 0.6 6
179 0.7 7
180 2.6 26
182 0.34 3
183 3.7 37
187 1 10
197 3.8 38
198 0.09 1
199 45.7 457
200 4.5 45
201 0.7 7
205 0.07 1
209 2.5 25
211 0.7 7
213 5.3 53
214 0.06 1
225 10.9 109
226 5.1 51
227 17.7 177
228 0.26 3
230 0.7 7
239 1.1 11
243 5.2 52
253 0.54 5
254 2.1 21
255 10 100
256 3.9 39
257 0.15 2
261 0.7 7
269 1.6 16
271 3.5 35
279 0.06 1
298 0.6 6
299 15.7 157
300 4 40
313 0.08 1
315 4.4 44
317 0.8 8
331 0.7 7
355 0.43 4
385 0.7 7
393 1.4 14
394 0.7 7
396 0.07 1
399 0.9 9
429 0.7 7
//