MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002457
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002457
RECORD_TITLE: (4S,5S)-4,5-BIS-(HYDROXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (4S,5S)-4,5-BIS-(HYDROXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O4
CH$EXACT_MASS: 162.08921
CH$SMILES: OCC([H])(O1)C([H])(CO)OC(C)(C)1
CH$IUPAC: InChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
CH$LINK: INCHIKEY
INVRLGIKFANLFP-WDSKDSINSA-N
CH$LINK: COMPTOX
DTXSID40964859
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0aor-9100000000-929242081123122a212c
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
43 6.8 68
45 1.7 17
59 21.8 218
61 0.53 5
69 15 150
87 4.5 45
113 5.5 55
131 4.96 50
//