MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008691
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008691
RECORD_TITLE: TRIDECANAL; 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$NAME: TRIDECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O
CH$EXACT_MASS: 198.19837
CH$SMILES: CCCCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
CH$LINK: INCHIKEY
BGEHHAVMRVXCGR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021682
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$SPLASH: splash10-05mo-9000000000-62219af33beb40e81666
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
17 1.61 16
18 8.05 81
27 24.08 241
29 45.22 452
30 1.26 13
31 1.39 14
39 12.13 121
41 94.37 944
42 21.94 219
43 99.99 999
44 38.35 384
45 10.88 109
53 5.13 51
54 12.22 122
55 72.62 726
56 36.94 369
57 82.37 824
58 5.07 51
59 1.04 10
65 1.13 11
66 6.2 62
67 38.77 388
68 49.9 499
69 45.16 452
70 31.03 310
71 32.16 322
72 6.25 63
77 1.31 13
79 2.27 23
80 2.07 21
81 34.8 348
82 70.62 706
83 35.52 355
84 12.28 123
85 11.76 118
86 2.22 22
93 1.13 11
94 1.81 18
95 27.25 273
96 36.39 364
97 20.69 207
98 7.07 71
99 4.24 42
109 9.59 96
110 10.23 102
111 7.27 73
112 5.06 51
113 1.88 19
123 6.19 62
124 7.94 79
125 3.31 33
126 3.13 31
137 3.17 32
138 2.99 30
151 1.13 11
152 4.97 50
154 8.08 81
155 1.45 15
170 1.48 15
180 1.83 18
//