MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008771
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008771
RECORD_TITLE: TRIDECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
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$LINK: CAS
10486-19-8
CH$LINK: INCHIKEY
BGEHHAVMRVXCGR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021682
AC$INSTRUMENT: HP 5970
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-9000000000-588dc92dd3c8395a37bd
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
39 20.79 208
41 99.99 999
42 22.51 225
43 84.18 842
44 31.81 318
45 10.92 109
53 6.73 67
54 15.39 154
55 66.29 663
56 28 280
57 82.14 821
58 5.87 59
66 7.35 74
67 32.51 325
68 33.32 333
69 36.45 365
70 27.32 273
71 30.05 301
72 6.69 67
79 3.66 37
80 2.83 28
81 31.05 311
82 48.37 484
83 24.29 243
84 9.75 98
85 10.76 108
95 20.18 202
96 26.51 265
97 12.56 126
98 5.18 52
99 3.63 36
109 8.73 87
110 9.21 92
111 6.12 61
112 2.74 27
123 6.12 61
124 7.28 73
125 3 30
154 4.17 42
//