MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008770
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008770
RECORD_TITLE: DODECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
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$LINK: CAS
112-54-9
CH$LINK: INCHIKEY
HFJRKMMYBMWEAD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021589
AC$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-d6c6fff4af8756f0fdb0
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
39 29.53 295
41 99.99 999
42 26.25 263
43 78.93 789
44 34.89 349
45 10.4 104
53 7.48 75
54 12.56 126
55 66.69 667
56 37.55 376
57 77.67 777
58 4.34 43
66 7.32 73
67 35.75 358
68 33.76 338
69 30.85 309
70 24.25 243
71 27.28 273
72 6.25 63
80 3.57 36
81 28.42 284
82 44.35 444
83 20.69 207
84 10.32 103
85 14.07 141
95 19.45 195
96 22.83 228
97 13.35 134
98 6.54 65
109 8.26 83
110 13.43 134
111 7.48 75
123 4.06 41
124 4.22 42
138 5.56 56
140 7.19 72
//
system version 2.2.6-SNAPSHOT