MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007718
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007718
RECORD_TITLE: HEXADECYL 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$NAME: HEXADECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
CH$LINK: INCHIKEY
LSTDYDRCKUBPDI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2052312
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$SPLASH: splash10-0006-9000000000-772e1198d75be2843ab9
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
40 1.4 14
41 37.2 372
42 10.9 109
43 99.99 999
44 3.6 36
53 1.5 15
54 4.9 49
55 3.39 34
56 19.6 196
57 28.1 281
58 2.2 22
61 2.53 25
67 5.3 53
68 7.7 77
69 23.1 231
70 1.48 15
71 10.8 108
73 2.3 23
81 2.6 26
82 1 10
83 21 210
84 8 80
85 4.7 47
95 0.1 1
96 3.5 35
97 14.3 143
98 4.8 48
99 0.09 1
101 0.3 3
110 1.2 12
111 6.3 63
112 0.22 2
116 1 10
124 0.6 6
125 2.4 24
126 0.12 1
138 0.3 3
139 0.7 7
140 0.6 6
152 0.02 0
153 0.3 3
154 0.4 4
167 0.2 2
168 0.02 0
196 0.7 7
197 0.1 1
224 0.4 4
225 0.1 1
//