MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009311
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009311
RECORD_TITLE: ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: CCOC(C)OCC
CH$IUPAC: InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY
DHKHKXVYLBGOIT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6030607
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006t-9100000000-7effe9459ca9da9eed08
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
27 1.3 13
29 7.1 71
31 2.3 23
43 0.54 5
44 2.8 28
45 99.99 999
46 2.8 28
47 1.98 20
61 3.6 36
72 1.6 16
73 81.1 811
74 0.38 4
75 8.4 84
89 1 10
103 26.2 262
104 0.15 2
118 0.7 7
//