MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001862
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001862
RECORD_TITLE: OCTADECYL HEXADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA
CH$NAME: OCTADECYL HEXADECANOATE
CH$NAME: STEARYL PALMITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C34H68O2
CH$EXACT_MASS: 508.52193
CH$SMILES: C(CCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O)CCCCCCC
CH$IUPAC: InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
CH$LINK: INCHIKEY
BILPUZXRUDPOOF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0026048
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-0a4l-9000000000-97dfbe411b8f4a98a387
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
41 40.4 404
42 12.5 125
43 99.99 999
44 4.7 47
53 1.5 15
54 6.1 61
55 48.4 484
56 19.1 191
57 82.4 824
58 4.1 41
60 8.8 88
61 13.5 135
67 7.2 72
68 8.9 89
69 34.3 343
70 14.3 143
71 35.1 351
72 2 20
73 11.8 118
74 1.4 14
81 5.5 55
82 12.3 123
83 28.2 282
84 10.1 101
85 18.2 182
86 1.4 14
87 2.8 28
95 3.6 36
96 6.4 64
97 24.2 242
98 7.7 77
99 3.6 36
101 2.1 21
109 1.6 16
110 2.4 24
111 10.7 107
112 3.3 33
113 1.9 19
115 2.1 21
116 1.7 17
124 1.4 14
125 5.5 55
126 1.7 17
127 1 10
129 3.7 37
139 2.3 23
140 1.2 12
153 1.3 13
157 1.1 11
171 1 10
185 1 10
213 1.6 16
224 1.5 15
239 3.2 32
252 5.9 59
253 1.5 15
256 6.3 63
257 35.4 354
258 6.5 65
297 2.1 21
508 3.5 35
509 1.3 13
//
system version 2.2.6-SNAPSHOT