MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007295
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007295
RECORD_TITLE: (2S,3R)-BUTAN-1,2,3,4-TETRAOL 2,4-ISOPROPYLIDENE ACETAL; 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$NAME: (2S,3R)-BUTAN-1,2,3,4-TETRAOL 2,4-ISOPROPYLIDENE ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O4
CH$EXACT_MASS: 162.08921
CH$SMILES: OCC([H])(O1)C([H])(O)COC(C)(C)1
CH$IUPAC: InChI=1S/C7H14O4/c1-7(2)10-4-5(9)6(3-8)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6+/m1/s1
CH$LINK: INCHIKEY
ODWXYNAGEJVSQH-RITPCOANSA-N
AC$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 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9300000000-cfc13dc0deddee42915d
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
43 11.3 113
58 2.7 27
59 99.99 999
61 0.5 5
69 5.9 59
74 6.3 63
87 5 50
102 1.09 11
105 2.7 27
119 3.2 32
131 14.5 145
137 0.27 3
147 22.2 222
148 2.3 23
163 2.3 23
//
system version 2.2.6-SNAPSHOT