MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011337
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011337
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0706-9100000000-2dd666a9a0355b1ca144
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
26 1.6 16
27 31.4 314
28 7.6 76
29 48.9 489
30 1.3 13
31 2.8 28
39 16.2 162
40 3.4 34
41 75.5 755
42 15.9 159
43 80.1 801
44 2.9 29
45 8.6 86
51 1.9 19
53 5.2 52
54 4.6 46
55 49.1 491
56 12.9 129
57 47.8 478
58 2.8 28
59 4.6 46
60 99.99 999
61 20 200
62 1.4 14
65 0.7 7
66 0.6 6
67 4.2 42
68 3.2 32
69 24 240
70 7.9 79
71 25 250
72 1.9 19
73 92.7 927
74 9.2 92
75 0.9 9
77 2.1 21
78 0.7 7
79 2.9 29
80 0.6 6
81 2.8 28
82 3.1 31
83 11.8 118
84 7.9 79
85 22.9 229
86 2 20
87 12.5 125
88 2 20
89 1 10
91 0.9 9
93 1.2 12
94 0.9 9
95 2.1 21
96 2.9 29
97 8.2 82
98 7.8 78
99 5.7 57
100 0.7 7
101 8.9 89
102 2.5 25
105 1 10
107 3.4 34
108 0.6 6
109 0.9 9
110 1.5 15
111 4.4 44
112 3 30
113 0.8 8
115 10.6 106
116 1.6 16
129 20.8 208
130 2.3 23
138 3.9 39
139 1.3 13
140 5.2 52
141 3.8 38
142 0.8 8
143 3.9 39
144 0.7 7
157 14.6 146
158 2.1 21
164 1.4 14
171 4.9 49
172 1.3 13
181 0.9 9
183 1 10
200 23.7 237
201 4 40
//