MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008772
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008772
RECORD_TITLE: TETRADECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
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$LINK: CAS
124-25-4
CH$LINK: INCHIKEY
UHUFTBALEZWWIH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021665
AC$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-f8f83eee05782910ff11
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
39 19 190
40 6.51 65
41 99.99 999
42 19.73 197
43 79.6 796
44 28.7 287
45 9.07 91
53 7.09 71
54 11.23 112
55 59.2 592
56 23.25 233
57 75.19 752
58 6.61 66
66 7.58 76
67 31.84 318
68 28.62 286
69 32.71 327
70 18.13 181
71 24.49 245
72 5.92 59
81 26.08 261
82 46.86 469
83 22.08 221
84 10.6 106
85 9.78 98
95 19.96 200
96 29.33 293
97 16.2 162
98 4.78 48
99 3.56 36
109 8.7 87
110 8.8 88
111 7.45 75
123 4.13 41
124 6.11 61
125 3.57 36
138 5.17 52
168 3.9 39
//