MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008631
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008631
RECORD_TITLE: NONANAL 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$NAME: NONANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24O2
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCCCCCCC(OC)OC
CH$IUPAC: InChI=1S/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3
CH$LINK: INCHIKEY
LYLVOCPDQAOQKL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8066424
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$SPLASH: splash10-004i-9000000000-323f734751d631abb1c2
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 1.16 12
27 4.51 45
29 6.17 62
31 3.69 37
39 3.05 31
41 13.37 134
42 1.43 14
43 4.93 49
45 7.02 70
47 5.66 57
55 7.01 70
57 2.71 27
58 5.44 54
67 1.41 14
68 1.06 11
69 8.84 88
71 20.19 202
75 99.99 999
76 3.19 32
81 1.28 13
82 1.22 12
83 4.64 46
157 6.32 63
//
system version 2.2.6-SNAPSHOT