MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009920
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009920
RECORD_TITLE: 6,10,14-TRIMETHYL-PENTADECAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 6,10,14-TRIMETHYL-PENTADECAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O
CH$EXACT_MASS: 268.27662
CH$SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)=O
CH$IUPAC: InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
CH$LINK: INCHIKEY
WHWDWIHXSPCOKZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40862063
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$SPLASH: splash10-0a4l-9200000000-f2203c7f88d3a1f991cf
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
27 3.3 33
29 7.8 78
39 2.6 26
41 2.36 24
42 5.2 52
43 96.6 966
44 2.6 26
55 3.1 31
56 14.7 147
57 44.1 441
58 99.99 999
59 4.64 46
67 4.8 48
68 7.2 72
69 28.1 281
70 1.55 16
71 60.5 605
72 4.8 48
81 15.2 152
82 1.21 12
83 19.5 195
84 6.7 67
85 34.5 345
86 0.33 3
95 25.9 259
96 11.6 116
97 12.1 121
98 0.31 3
99 5.5 55
109 27.8 278
110 20.3 203
111 1.12 11
112 3.4 34
113 11.2 112
123 14.1 141
124 1.9 19
125 10.2 102
126 8.8 88
127 3.6 36
137 0.81 8
138 7.1 71
139 2.1 21
140 5.9 59
141 0.19 2
151 2.2 22
152 2.1 21
165 8.6 86
179 0.64 6
180 2.2 22
194 2.9 29
208 1.7 17
210 0.74 7
225 2.4 24
235 1.6 16
250 19.3 193
253 0.19 2
268 1.7 17
//