MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002975
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002975
RECORD_TITLE: TETRA-O-ACETYL-3-DEOXY-ALPHA-D-ERYTHRO-HEX-2-ENOPYRANOSE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: TETRA-O-ACETYL-3-DEOXY-ALPHA-D-ERYTHRO-HEX-2-ENOPYRANOSE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O9
CH$EXACT_MASS: 330.09508
CH$SMILES: CC(=O)OCC([H])(O1)C([H])(OC(C)=O)C=C(OC(C)=O)C([H])(OC(C)=O)1
CH$IUPAC: InChI=1S/C14H18O9/c1-7(15)19-6-13-11(20-8(2)16)5-12(21-9(3)17)14(23-13)22-10(4)18/h5,11,13-14H,6H2,1-4H3/t11-,13+,14-/m0/s1
CH$LINK: INCHIKEY
SSPYOUYEPYQDLN-YUTCNCBUSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-9610000000-6518e5e3d1458a9fa912
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
54 5 50
60 35 350
69 32 320
81 1.9 19
96 13 130
97 80 800
98 99.99 999
99 2 20
100 5 50
102 15 150
109 45 450
113 1 10
126 25 250
127 12 120
139 15 150
143 0.5 5
144 25 250
145 9 90
155 6 60
168 1.5 15
169 30 300
185 3 30
186 12 120
210 1 10
211 4 40
228 35 350
271 5 50
288 5 50
//
system version 2.2.8-SNAPSHOT