MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001481
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001481
RECORD_TITLE: HEXYLALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: HEXYLALDEHYDE
CH$NAME: HEXANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCCCCC=O
CH$IUPAC: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
CH$LINK: INCHIKEY
JARKCYVAAOWBJS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021604
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-0006-9000000000-65f52440a5d20229be6c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
14 1.12 11
15 6.05 61
26 4.46 45
27 53.64 536
28 12.21 122
29 46.32 463
30 2.39 24
31 3.42 34
37 1.26 13
38 2.81 28
39 30.27 303
40 5.12 51
41 80.63 806
42 13.22 132
43 60.75 608
44 99.99 999
45 20.53 205
50 1.44 14
51 2.04 20
53 3.81 38
54 2.92 29
55 16.06 161
56 78.8 788
57 33.88 339
58 8.31 83
67 8.72 87
69 1.59 16
71 6.16 62
72 17.03 170
81 1.58 16
82 12.64 126
83 1.44 14
100 1 10
//