MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011566
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011566
RECORD_TITLE: LAURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: LAURIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O2
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
CH$LINK: INCHIKEY
POULHZVOKOAJMA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021590
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-074i-9300000000-405ec308fe8c935c62a2
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
26 0.9 9
27 0.9 9
28 4.3 43
29 1.8 18
32 1.1 11
41 4.2 42
42 2.6 26
43 27.8 278
44 1.4 14
45 2.2 22
51 0.6 6
54 2.2 22
55 14.5 145
56 7.6 76
57 44.3 443
58 2.2 22
59 2 20
60 99.99 999
61 26.9 269
62 1.4 14
66 0.6 6
67 1.7 17
68 3.1 31
69 13.7 137
70 8.1 81
71 35.6 356
72 2.7 27
73 98.4 984
74 10 100
75 1.1 11
77 2.5 25
78 0.7 7
79 4.2 42
80 1.1 11
81 2.3 23
82 3.4 34
83 9.2 92
84 10.2 102
85 32.8 328
86 3.3 33
87 15.7 157
88 3.2 32
89 1.1 11
90 0.7 7
91 1.1 11
92 0.6 6
93 0.6 6
94 0.6 6
95 1.9 19
96 3.8 38
97 10 100
98 10.8 108
99 9.6 96
100 1.5 15
101 13.2 132
102 3.6 36
105 2.1 21
106 1.7 17
107 10.6 106
108 1.9 19
109 1.2 12
110 2.2 22
111 6.2 62
112 4.4 44
113 0.7 7
115 17.6 176
116 3.2 32
117 0.6 6
121 1.1 11
123 0.9 9
124 0.6 6
125 1.7 17
126 0.7 7
127 0.6 6
129 34.4 344
130 3.9 39
131 0.6 6
134 0.6 6
135 1 10
136 0.7 7
138 6.4 64
139 1.4 14
140 8.7 87
141 6.2 62
142 1.1 11
143 6.2 62
144 1.6 16
145 0.7 7
148 1.7 17
152 1.4 14
153 0.7 7
155 0.6 6
157 25.1 251
158 0.7 7
163 0.7 7
164 1.9 19
171 8.5 85
172 1.6 16
182 0.8 8
183 1.1 11
185 0.9 9
186 0.6 6
187 0.6 6
200 41.3 413
201 7 70
202 1.2 12
//