MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008692
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008692
RECORD_TITLE: TETRADECANAL; 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$NAME: TETRADECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O
CH$EXACT_MASS: 212.21402
CH$SMILES: CCCCCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3
CH$LINK: INCHIKEY
UHUFTBALEZWWIH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021665
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$SPLASH: splash10-0536-9000000000-e2a96717d418d3033297
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
20 1.02 10
26 1.49 15
27 16.68 167
29 41.49 415
31 1.54 15
39 11.16 112
41 92.9 929
42 14.88 149
43 99.99 999
44 35.38 354
45 11.17 112
53 4.68 47
54 11.84 118
55 72.85 729
56 31.58 316
57 84.32 843
58 4.52 45
59 1.31 13
65 1.16 12
66 6.1 61
67 37.07 371
68 49.72 497
69 42.98 430
70 19.05 191
71 31.59 316
72 6.09 61
73 1.05 11
79 2.24 22
80 1.91 19
81 28.46 285
82 68.43 684
83 38.18 382
84 12.51 125
85 11.35 114
86 2.21 22
93 1.23 12
94 1.92 19
95 19.36 194
96 38.48 385
97 16.35 164
98 6.65 67
99 4.13 41
109 9.89 99
110 9.34 93
111 7.28 73
112 4.1 41
113 1.56 16
123 4.84 48
124 6.73 67
125 3.87 39
126 2.4 24
137 3.97 40
138 4.66 47
139 1.73 17
140 2.05 21
151 1.55 16
152 2.03 20
166 4.22 42
168 5.89 59
169 1.13 11
184 1.1 11
194 2.09 21
//