MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008628
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008628
RECORD_TITLE: HEXANAL DIMETHYL 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$NAME: HEXANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O2
CH$EXACT_MASS: 146.13068
CH$SMILES: CCCCCC(OC)OC
CH$IUPAC: InChI=1S/C8H18O2/c1-4-5-6-7-8(9-2)10-3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY
ZQUJUCJLDXTKKW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6061812
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$SPLASH: splash10-004i-9000000000-418af211949e27265ed4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 4.5 45
27 8.96 90
29 10.14 101
31 7.44 74
39 5.35 54
41 14.85 149
42 1.45 15
43 5.3 53
45 18.27 183
47 11.11 111
53 1.1 11
55 13.12 131
57 1.43 14
58 7.95 80
59 1.63 16
71 11.28 113
75 99.99 999
76 3.35 34
83 8.63 86
115 11.76 118
//