MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009328
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009328
RECORD_TITLE: DECYLALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DECYLALDEHYDE
CH$NAME: DECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: CCCCCCCCCC=O
CH$IUPAC: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
CH$LINK: INCHIKEY
KSMVZQYAVGTKIV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021553
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05mo-9100000000-d33aea8d64934a73baad
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
27 1.3 13
28 1.2 12
29 13.3 133
30 0.12 1
31 1.3 13
41 28.6 286
42 29.3 293
43 99.99 999
44 86.8 868
45 32.5 325
46 1 10
53 0.1 1
54 20.4 204
55 62.2 622
56 76.1 761
57 9.21 92
58 10.7 107
59 2.2 22
60 3.1 31
66 1.12 11
67 44.8 448
68 75.4 754
69 51.5 515
70 8.93 89
71 58.5 585
72 18.1 181
73 2.5 25
79 0.14 1
80 1.8 18
81 42.1 421
82 84.8 848
83 6.05 61
84 41.4 414
85 11 110
86 3.6 36
94 0.32 3
95 33.8 338
96 37.4 374
97 13.9 139
98 0.27 3
99 6.1 61
100 3.6 36
109 18.5 185
110 3.14 31
111 4.6 46
112 58.8 588
113 8.8 88
114 0.12 1
123 1.9 19
127 1.5 15
128 12.8 128
129 0.17 2
138 9.7 97
139 1.5 15
156 1.2 12
//
system version 2.2.6-SNAPSHOT