MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008664
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008664
RECORD_TITLE: PHENYLACETALDEHYDE 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$NAME: PHENYLACETALDEHYDE DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: COC(OC)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
CH$LINK: INCHIKEY
WNJSKZBEWNVKGU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047001
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$SPLASH: splash10-004i-9100000000-d5f5d18ae8fc6a82df92
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 2.15 22
29 1.56 16
31 5.2 52
39 3.91 39
47 12.78 128
51 3.19 32
63 1.89 19
65 6.98 70
75 99.99 999
76 3.97 40
77 3.86 39
89 1.47 15
91 20.13 201
92 1.98 20
103 8.91 89
104 1.03 10
105 3.09 31
117 1.04 10
134 1.36 14
135 14.9 149
136 1.29 13
//
system version 2.2.8-SNAPSHOT