MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011379
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011379
RECORD_TITLE: STEARIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: STEARIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
CH$LINK: INCHIKEY
QIQXTHQIDYTFRH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021642
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-075c-9220000000-207b53a511763954eb66
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
39 4.6 46
41 39.8 398
42 9.1 91
43 57.9 579
45 3.9 39
54 3.8 38
55 41.7 417
56 12.3 123
57 54.4 544
59 4 40
60 52.5 525
61 18.9 189
67 5.9 59
68 5.1 51
69 28.4 284
70 9.3 93
71 34.9 349
73 65.9 659
74 7.2 72
81 5.2 52
82 5.5 55
83 22.8 228
84 10.5 105
85 25.2 252
87 16.7 167
95 3.8 38
96 5.2 52
97 20 200
98 12.7 127
99 9.2 92
101 7.4 74
111 10.7 107
112 4.7 47
113 6 60
115 12.3 123
116 7.9 79
125 5.9 59
127 4.3 43
129 41.2 412
130 5.6 56
139 3.2 32
141 3.5 35
143 8.3 83
157 4.2 42
171 9.5 95
185 23.4 234
186 3.7 37
199 8.1 81
213 3.6 36
224 3 30
227 6.2 62
241 22.7 227
242 4 40
255 3.8 38
256 3.3 33
284 99.99 999
285 24.9 249
286 3.2 32
//