MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008657
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008657
RECORD_TITLE: HEXANAL DIHEXYL 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$NAME: HEXANAL DIHEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H38O2
CH$EXACT_MASS: 286.28718
CH$SMILES: CCCCCCOC(CCCCC)OCCCCCC
CH$IUPAC: InChI=1S/C18H38O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h18H,4-17H2,1-3H3
CH$LINK: INCHIKEY
JAMIQGJXDPTFJL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30187353
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$SPLASH: splash10-000f-9100000000-73516d92d4f0236c340f
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 10.22 102
29 15.95 160
31 3.71 37
39 4.33 43
41 26.88 269
42 11.27 113
43 99.99 999
44 3.49 35
45 1.17 12
53 1.03 10
55 21.13 211
56 15.56 156
57 24.25 243
58 1.47 15
67 1.45 15
69 3.89 39
71 2.89 29
82 5.3 53
83 21.27 213
84 2.51 25
85 85.09 851
86 5.67 57
101 21.85 219
102 1.26 13
113 1.18 12
131 7.75 78
184 1.22 12
185 20.84 208
186 2.27 23
215 9.83 98
216 1.09 11
//