MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005843
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005843
RECORD_TITLE: MONOSTEARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: MONOSTEARIN
CH$NAME: GLYCERYL-1-STEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H42O4
CH$EXACT_MASS: 358.30831
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
CH$IUPAC: InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
CH$LINK: INCHIKEY
VBICKXHEKHSIBG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7029160
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-007k-9530000000-e7c8759540fb484bf4af
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
42 1.03 10
43 5.37 54
44 2.06 21
45 1.98 20
55 2.69 27
56 5.94 59
57 18.26 183
58 1.81 18
60 4.35 44
61 3.9 39
67 1.88 19
68 2.06 21
69 6.05 61
70 3.23 32
71 13.03 130
72 1.29 13
73 7.92 79
74 55.43 554
75 14.94 149
81 4.49 45
82 3.3 33
83 11.35 114
84 52.53 525
85 12.89 129
86 2.38 24
87 10.07 101
88 1.82 18
93 4.82 48
94 1.61 16
95 6.42 64
96 4.41 44
97 12.34 123
98 99.99 999
99 9.18 92
100 1.74 17
101 3.01 30
103 1 10
108 1.23 12
109 5.32 53
110 2.27 23
111 11.27 113
112 38.14 381
113 5.62 56
114 1 10
115 2.21 22
116 13.86 139
117 2.94 29
121 2.4 24
122 1.21 12
123 2.56 26
124 1.78 18
125 5.74 57
126 8.7 87
127 1.66 17
128 1.15 12
129 14.23 142
130 1.65 17
136 1.37 14
137 1.71 17
138 1.64 16
139 2.46 25
140 5.51 55
141 1.67 17
143 4.4 44
147 13.06 131
148 1.26 13
152 1.08 11
153 2 20
154 18.19 182
155 3.01 30
157 1.59 16
167 2.13 21
168 7.28 73
169 1.48 15
171 2.24 22
176 6.14 61
177 1 10
181 1.59 16
182 6.29 63
183 1.11 11
185 4.68 47
186 1.02 10
190 2.24 22
195 1.9 19
196 4.55 46
199 1.88 19
209 1.49 15
210 7.03 70
211 3.42 34
212 1 10
213 1.86 19
223 1.72 17
224 3.17 32
227 1.67 17
228 1.02 10
237 1.19 12
238 6.39 64
239 27.26 273
240 4.51 45
241 2.56 26
255 1.94 19
256 5.44 54
257 8.94 89
258 1.82 18
266 11.49 115
267 32.54 325
268 6.34 63
269 1.78 18
270 5.11 51
271 1.76 18
284 8.62 86
285 2.38 24
298 6.08 61
299 8.3 83
300 1.88 19
313 1.16 12
327 9.07 91
328 2.32 23
340 1.13 11
341 1.33 13
358 0.94 9
359 0.24 2
//