MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006253
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006253
RECORD_TITLE: PALMITIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PALMITIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H32O2
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
CH$LINK: CAS
57-10-3
CH$LINK: INCHIKEY
IPCSVZSSVZVIGE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021602
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0abc-9110000000-6d7f0dbe5b588850b941
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
14 1.3 13
15 1.35 14
29 43.82 438
30 1.09 11
31 2.12 21
32 5.83 58
39 18.29 183
40 4.41 44
41 89.83 898
42 22.04 220
43 99.99 999
44 4.51 45
45 10.46 105
50 0.56 6
51 1.05 11
52 0.76 8
53 6.95 70
54 6.64 66
55 70.35 704
56 21.38 214
57 72.94 729
58 3.84 38
59 4.69 47
60 86.92 869
61 22.16 222
62 0.86 9
65 1.33 13
66 0.84 8
67 10.42 104
68 6.99 70
69 42.11 421
70 12.85 129
71 37.61 376
72 2.46 25
73 93.14 931
74 8.59 86
75 0.78 8
77 1.24 12
78 0.59 6
79 2.88 29
80 1.2 12
81 6.83 68
82 6.05 61
83 25.41 254
84 11.34 113
85 22.57 226
86 2.19 22
87 16.98 170
88 2.31 23
91 1.22 12
92 0.57 6
93 2.95 30
94 1.04 10
95 6.82 68
96 5.03 50
97 18.95 190
98 11.47 115
99 7.84 78
100 1.1 11
101 8.78 88
102 3.24 32
107 1.41 14
108 1.1 11
109 2.54 25
110 3.07 31
111 9.02 90
112 4.32 43
113 5.14 51
114 0.88 9
115 13.54 135
116 5.75 58
117 0.56 6
121 2.88 29
122 0.47 5
123 1.04 10
124 1.39 14
125 4.17 42
126 1.98 20
127 3.84 38
128 0.6 6
129 35.27 353
130 3.84 38
135 1.22 12
136 1.81 18
137 0.87 9
138 1.21 12
139 1.88 19
140 1.28 13
141 2.64 26
143 5.23 52
144 1.33 13
149 1.04 10
152 1.02 10
153 1.26 13
154 1.25 13
155 1.24 12
157 11.16 112
158 1.88 19
166 0.75 8
167 0.69 7
168 1.27 13
169 0.34 3
171 11.03 110
172 1.82 18
185 11.13 111
186 1.51 15
194 2.9 29
195 0.78 8
196 2.95 30
197 1.75 18
199 4.75 48
200 1.03 10
213 20.66 207
214 3.38 34
227 5.42 54
228 2.02 20
239 0.95 10
241 0.69 7
242 1.14 11
256 82.08 821
257 14.71 147
258 1.55 16
//