MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006706
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006706
RECORD_TITLE: METHYL 3-OXOHEXADECANOATE; 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$NAME: METHYL 3-OXOHEXADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H32O3
CH$EXACT_MASS: 284.23514
CH$SMILES: CCCCCCCCCCCCCC(=O)CC(=O)OC
CH$IUPAC: InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY
OEEDRMFBAHHVQI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50162662
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-9100000000-4ad0ae1c6fec6afed54a
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
41 14.9 149
42 4.3 43
43 49.9 499
44 0.29 3
53 1.6 16
54 2.3 23
55 14 140
56 0.54 5
57 17.1 171
58 99.99 999
59 54.5 545
60 0.25 3
67 3.9 39
68 3.6 36
69 8.2 82
70 0.49 5
71 38.8 388
72 3.7 37
81 4.5 45
82 0.94 9
83 6.8 68
84 3.6 36
85 14.1 141
86 0.2 2
95 5.1 51
96 11.5 115
97 6.7 67
98 0.28 3
99 2.4 24
100 3.1 31
109 3.1 31
110 0.45 5
111 4.2 42
112 2.3 23
113 3.1 31
114 0.28 3
123 1.8 18
124 3 30
125 3 30
126 0.18 2
127 4.6 46
128 1.7 17
137 1.5 15
138 0.27 3
139 1.7 17
140 1.8 18
141 1.5 15
152 0.15 2
166 4.9 49
168 6.8 68
169 2.1 21
183 0.24 2
208 2.4 24
211 3.6 36
226 9.6 96
//
system version 2.2.8-SNAPSHOT