MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008632
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008632
RECORD_TITLE: DECANAL 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$NAME: DECANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26O2
CH$EXACT_MASS: 202.19328
CH$SMILES: CCCCCCCCCC(OC)OC
CH$IUPAC: InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY
NCRNCSZWOOYBQF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3064803
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$SPLASH: splash10-004i-9000000000-362896b800f5af033836
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 1.11 11
27 4.01 40
29 6.16 62
31 3.43 34
39 2.66 27
41 13.59 136
42 1.65 17
43 6.32 63
45 6.2 62
47 5.09 51
55 7.3 73
57 2.54 25
58 5.74 57
67 1.76 18
68 1.62 16
69 4.8 48
71 23.58 236
72 1.11 11
75 99.99 999
76 3.22 32
81 1.56 16
82 1.66 17
83 5.95 60
85 1.22 12
95 1.26 13
97 2.46 25
171 5.69 57
//
system version 2.2.6-SNAPSHOT