MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009089
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009089
RECORD_TITLE: HEXANAL BENZYL ETHYL 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$NAME: HEXANAL BENZYL ETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24O2
CH$EXACT_MASS: 236.17763
CH$SMILES: CCCCCC(OCC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H24O2/c1-3-5-7-12-15(16-4-2)17-13-14-10-8-6-9-11-14/h6,8-11,15H,3-5,7,12-13H2,1-2H3
CH$LINK: INCHIKEY
ZESDQEHIQRRQEU-UHFFFAOYSA-N
AC$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: splash10-0006-9000000000-458ff48878cbb9690f1b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 3.1 31
29 5.27 53
39 2.05 21
41 3.93 39
43 3.58 36
51 1.24 12
55 5.91 59
57 3.47 35
65 5.12 51
77 1.62 16
79 1.23 12
83 5.58 56
85 1.33 13
89 1.09 11
90 1.44 14
91 99.99 999
92 10.11 101
107 1.56 16
129 4.54 45
165 6.37 64
//