MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009103
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009103
RECORD_TITLE: HEXANAL BENZYL TRANS-2-HEXENYL 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$NAME: HEXANAL BENZYL TRANS-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: CCCC=CCOC(CCCCC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H30O2/c1-3-5-7-12-16-20-19(15-9-6-4-2)21-17-18-13-10-8-11-14-18/h7-8,10-14,19H,3-6,9,15-17H2,1-2H3/b12-7+
CH$LINK: INCHIKEY
FQKZBNBSOLKMFF-KPKJPENVSA-N
AC$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: splash10-0006-9000000000-5528ec7a2e3375a75264
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 3.77 38
29 2.99 30
39 3.97 40
41 16.98 170
42 1.86 19
43 4.28 43
51 1.45 15
53 1.78 18
54 1.81 18
55 23.97 240
56 2.86 29
57 3.89 39
65 4.13 41
67 3.06 31
69 1.33 13
77 2.79 28
79 3.4 34
81 2.2 22
82 3.91 39
83 36.92 369
84 2.91 29
89 1.08 11
90 1.6 16
91 99.99 999
92 15.38 154
99 4.44 44
105 1.67 17
107 4.17 42
108 2.32 23
113 3 30
117 1.49 15
139 1.53 15
//