MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008668
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008668
RECORD_TITLE: ACETALDEHYDE BENZYL HEXYL ACETAL; 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$NAME: ACETALDEHYDE BENZYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24O2
CH$EXACT_MASS: 236.17763
CH$SMILES: CCCCCCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H24O2/c1-3-4-5-9-12-16-14(2)17-13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3
CH$LINK: INCHIKEY
NDKDGYQWVJSTOP-UHFFFAOYSA-N
AC$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: splash10-0006-9100000000-ca401fd08b77f936762c
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
15 1.06 11
26 1.24 12
27 11.77 118
29 10.76 108
31 3.92 39
38 1 10
39 7.43 74
41 20.37 204
42 6.86 69
43 59.87 599
44 3.84 38
45 5.11 51
50 2.24 22
51 5.59 56
52 1.51 15
53 1.89 19
55 10.93 109
56 13.83 138
57 5.98 60
63 1.8 18
65 6.55 66
69 4.56 46
77 11.63 116
78 2.05 21
79 12.92 129
80 1.04 10
82 2.58 26
83 1.53 15
84 2.34 23
85 18.42 184
89 2.05 21
90 2.46 25
91 99.99 999
92 17.67 177
93 1 10
105 4.03 40
106 2.4 24
107 6.4 64
108 10.23 102
113 2.99 30
129 1.68 17
133 2.22 22
134 18.13 181
135 5.14 51
//