ACCESSION: MSBNK-GL_Sciences_Inc-GLS00163
RECORD_TITLE: 1,6-Anhydro-beta-D-Glucose; EI-B; MS; 3 TMS; RT: 694.88 s
DATE: 2016.01.19 (Created 2012.08.03, modified 2013.07.31)
AUTHORS: Miyagawa H, Akimoto S, Yamasaki K, GL Sciences Inc.
LICENSE: CC BY-SA
COPYRIGHT: GLS
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide(MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: 1,6-Anhydro-beta-D-Glucose
CH$NAME: 1,6-Anhydro-b-D-Glucose
CH$NAME: Levoglucosan
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H10O5
CH$EXACT_MASS: 162.05282
CH$SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O
CH$IUPAC: InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1
CH$LINK: CAS
498-07-7
CH$LINK: INCHIKEY
TWNIBLMWSKIRAT-VFUOTHLCSA-N
CH$LINK: COMPTOX
DTXSID90904321
CH$LINK: PUBCHEM
CID:2724705
AC$INSTRUMENT: GCMS-2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: GAS_PRESSURE 75 kPa
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME InertCap 5MS/NP 0.25 mmI.D. x 30 m, df=0.25 um
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C(2 min)-15 C/min - 330C
AC$CHROMATOGRAPHY: RETENTION_INDEX 1726
AC$CHROMATOGRAPHY: RETENTION_TIME 694.88
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE GCMSsolution
PK$SPLASH: splash10-0uxr-0891000000-57d1cb031374b05f81ee
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//
