MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008348
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008348
RECORD_TITLE: ETHYLENEBIS(STEARYLAMIDE); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYLENEBIS(STEARYLAMIDE)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C38H76N2O2
CH$EXACT_MASS: 592.59068
CH$SMILES: C(CCCCCCCCCCC(NCCNC(CCCCCCCCCCCCCCCCC)=O)=O)CCCCCC
CH$IUPAC: InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)
CH$LINK: INCHIKEY
RKISUIUJZGSLEV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4026840
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000x-9211000000-169cffbbd7e6d00215f5
PK$NUM_PEAK: 146
PK$PEAK: m/z int. rel.int.
27 7.2 72
29 17.04 170
30 47.53 475
39 4.91 49
41 37.49 375
42 11 110
43 99.99 999
44 81.54 815
45 4.7 47
53 1.57 16
54 4.79 48
55 44.8 448
56 11.71 117
57 55.37 554
58 10.05 101
59 11.51 115
60 6.87 69
61 9.76 98
67 7.65 77
68 5.01 50
69 18.88 189
70 9.65 97
71 24.69 247
72 8.38 84
73 32.19 322
74 1.87 19
81 6.82 68
82 4.51 45
83 17.25 173
84 69.99 700
85 33.33 333
86 25 250
87 22.31 223
95 5.35 54
96 3.56 36
97 36.93 369
98 42.27 423
99 7.98 80
100 8.83 88
101 2.93 29
102 2.75 28
103 12.12 121
109 3.57 36
110 2.2 22
111 9.81 98
112 9.9 99
113 3.64 36
114 2.49 25
115 5.44 54
123 2.25 23
124 2.12 21
125 5.01 50
126 13.14 131
127 2.58 26
128 4.28 43
129 3.39 34
137 1.06 11
139 14.14 141
140 4.75 48
141 1.2 12
142 4.96 50
143 1.21 12
144 25.25 253
145 1.95 20
153 3.52 35
154 4.7 47
155 1.27 13
156 3 30
157 14.68 147
158 2.24 22
167 2.1 21
168 4.03 40
170 2.86 29
171 3 30
181 2.34 23
182 3.48 35
184 2.67 27
185 1.78 18
186 1.17 12
195 1.7 17
196 2.76 28
198 2.76 28
199 2.95 30
209 3.35 34
210 2.08 21
212 2.34 23
213 3.21 32
223 2.11 21
224 2.05 21
226 2.79 28
227 1.81 18
228 1.11 11
237 2.41 24
238 3.09 31
239 3.75 38
240 2.38 24
241 1.78 18
251 2.74 27
252 3.01 30
253 2.54 25
254 2.93 29
255 2.18 22
256 8.42 84
265 1.75 18
266 2.75 28
267 4.43 44
268 2.23 22
269 3.32 33
270 1.41 14
279 5.27 53
280 6.15 62
281 12.78 128
282 7.97 80
283 3.36 34
284 12.93 129
285 2.53 25
294 1.35 14
295 1.52 15
296 2.1 21
297 6.54 65
298 1.74 17
299 2.5 25
307 9.53 95
308 10.16 102
309 26.69 267
310 15.77 158
311 5 50
312 2.65 27
322 3.7 37
325 5.21 52
326 1.82 18
327 4.66 47
335 3.46 35
340 11.01 110
341 2.3 23
350 5.05 51
351 1.12 11
353 2.69 27
354 1.24 12
363 2.02 20
368 14.19 142
369 3.54 35
381 4.05 41
382 1.05 11
564 1.92 19
592 1.72 17
//