MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009085
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009085
RECORD_TITLE: HEXANAL CIS-3-HEXENYL 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$NAME: HEXANAL CIS-3-HEXENYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCOC(CCCCC)OCCC=CCC
CH$IUPAC: InChI=1S/C18H36O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h7,10,18H,4-6,8-9,11-17H2,1-3H3/b10-7-
CH$LINK: INCHIKEY
ZSNIHKPCTYBURZ-YFHOEESVSA-N
AC$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: splash10-053u-9100000000-75e691bbe9b9ca1513f5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
27 8.94 89
29 13.23 132
31 3.23 32
39 8.23 82
41 38.58 386
42 8.69 87
43 62.78 628
44 2.25 23
53 3.02 30
54 2.45 25
55 58.97 590
56 11.2 112
57 16.8 168
58 1.18 12
67 12.29 123
68 1.05 11
69 3.32 33
70 1.44 14
71 2.91 29
81 1.46 15
82 14.14 141
83 99.99 999
84 7.77 78
85 28.35 284
86 1.7 17
100 1.12 11
101 27.26 273
102 1.53 15
113 2.28 23
117 1.78 18
125 1.52 15
131 2.84 28
183 2.19 22
184 1.26 13
185 25.44 254
186 3.38 34
//