MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007719
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007719
RECORD_TITLE: OCTADECYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: OCTADECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H40O2
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
CH$LINK: INCHIKEY
OIZXRZCQJDXPFO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4047759
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$SPLASH: splash10-0006-9000000000-2228633c7be80e708eec
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
40 1.3 13
41 37.7 377
42 11 110
43 99.99 999
44 3.7 37
53 1.4 14
54 5 50
55 3.42 34
56 18.4 184
57 31.3 313
58 2.1 21
61 2.6 26
67 5.2 52
68 7.6 76
69 23 230
70 1.31 13
71 11.7 117
73 2.3 23
81 3 30
82 1.03 10
83 21.8 218
84 7.7 77
85 5.6 56
95 0.13 1
96 4 40
97 16 160
98 4.6 46
99 0.12 1
101 0.3 3
109 0.5 5
110 1.4 14
111 0.76 8
112 2.4 24
113 0.6 6
116 1 10
124 0.08 1
125 3.1 31
126 1.3 13
138 0.3 3
139 0.11 1
140 0.7 7
152 0.3 3
153 0.5 5
154 0.04 0
166 0.2 2
167 0.3 3
168 0.3 3
182 0.02 0
196 0.2 2
224 0.4 4
225 0.1 1
252 0.03 0
253 0.1 1
//