MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008690
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008690
RECORD_TITLE: DODECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DODECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O
CH$EXACT_MASS: 184.18272
CH$SMILES: CCCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
CH$LINK: INCHIKEY
HFJRKMMYBMWEAD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021589
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-7f7646c6c5dfd05b37e1
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
15 1.45 15
26 1.46 15
27 34.88 349
28 3.77 38
29 58.16 582
30 1.17 12
31 1.57 16
39 23.12 231
40 2.14 21
41 99.99 999
42 24.32 243
43 98.31 983
44 43.05 431
45 14.59 146
53 6.63 66
54 16.42 164
55 67.69 677
56 38.45 385
57 82.36 824
58 4.71 47
66 5.79 58
67 32.91 329
68 40.09 401
69 37.6 376
70 28.2 282
71 27.11 271
72 6.29 63
79 2.16 22
80 1.45 15
81 26.54 265
82 52.61 526
83 25.46 255
84 13.72 137
85 16.04 160
86 1.5 15
94 1.15 12
95 22.19 222
96 28.21 282
97 15.41 154
98 7.52 75
99 3.8 38
109 9.07 91
110 10.22 102
111 6.43 64
112 3.77 38
123 3.93 39
124 3.71 37
137 1.97 20
138 5.84 58
140 10.48 105
141 1.5 15
156 1.9 19
166 1.77 18
//