MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008586
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008586
RECORD_TITLE: PARAACETALDEHYDE; 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$NAME: PARAACETALDEHYDE
CH$NAME: PARALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O3
CH$EXACT_MASS: 132.07864
CH$SMILES: CC(O1)OC(C)OC(C)1
CH$IUPAC: InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
CH$LINK: INCHIKEY
SQYNKIJPMDEDEG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9023419
AC$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: splash10-0005-9000000000-a3f03c0baa80a3369e84
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
15 3.6 36
27 3.59 36
29 7.17 72
42 2.51 25
43 51.17 512
44 3.25 33
45 99.99 999
46 2.22 22
87 9.25 93
89 16.12 161
117 8.1 81
131 3.16 32
//