MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009571
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009571
RECORD_TITLE: LAURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-0706-9100000000-e66a9147257053b93702
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
26 1.19 12
27 28.23 282
29 44.27 443
30 1.52 15
31 2.67 27
39 21.62 216
40 4.09 41
41 82.37 824
42 20.44 204
43 73.05 731
44 2.96 30
45 11.48 115
53 7.69 77
54 6.66 67
55 64.2 642
56 17.95 180
57 53.85 539
58 2.89 29
59 6.31 63
60 95.08 951
61 21.37 214
62 1.03 10
65 1.31 13
67 7.84 78
68 5.93 59
69 34.87 349
70 11.26 113
71 32.89 329
72 2.1 21
73 99.99 999
74 11.69 117
75 1 10
79 2.23 22
81 4.69 47
82 4.92 49
83 20.39 204
84 11.56 116
85 33.2 332
86 2.7 27
87 21.18 212
88 3.56 36
93 1.33 13
95 2.67 27
96 4.41 44
97 14.95 150
98 11.51 115
99 8.76 88
101 17.09 171
102 3.53 35
109 1.26 13
110 2.75 28
111 7.81 78
112 4.73 47
115 21.07 211
116 2.73 27
121 1.13 11
125 1.62 16
129 41.32 413
130 4.13 41
138 6.54 65
139 1.89 19
140 8.57 86
141 4.43 44
143 11.09 111
144 1.39 14
157 32.68 327
158 3.99 40
164 1.48 15
171 12.12 121
172 1.85 19
183 5.04 50
200 45.19 452
201 16.53 165
202 2.04 20
//