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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002075

2-(4-METHOXYPHENYL)ETHYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-(D)-GLUCOPYRANOSIDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002075
RECORD_TITLE: 2-(4-METHOXYPHENYL)ETHYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-(D)-GLUCOPYRANOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(4-METHOXYPHENYL)ETHYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-(D)-GLUCOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H30O11
CH$EXACT_MASS: 482.17881
CH$SMILES: COc(c2)ccc(c2)CCOC(O1)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)1
CH$IUPAC: InChI=1S/C23H30O11/c1-13(24)30-12-19-20(31-14(2)25)21(32-15(3)26)22(33-16(4)27)23(34-19)29-11-10-17-6-8-18(28-5)9-7-17/h6-9,19-23H,10-12H2,1-5H3
CH$LINK: INCHIKEY QCGLDBJOIZTNGD-UHFFFAOYSA-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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001r-1900000000-2ca3aa3f0d9da8240416
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  41 0.6 6
  43 35.2 352
  44 0.8 8
  55 0.06 1
  56 0.6 6
  57 1.7 17
  61 0.6 6
  69 0.15 2
  70 1.9 19
  71 1.5 15
  73 0.8 8
  77 0.08 1
  79 1 10
  81 4.2 42
  83 0.8 8
  85 0.1 1
  91 1.1 11
  97 2.5 25
  98 2.9 29
  99 0.11 1
  102 1.3 13
  103 3.4 34
  105 3.8 38
  108 0.4 4
  109 15.2 152
  110 1.3 13
  112 1.3 13
  113 0.06 1
  115 4 40
  116 0.8 8
  119 0.6 6
  120 0.13 1
  121 10.3 103
  122 1.1 11
  126 1 10
  127 0.59 6
  128 0.6 6
  134 99.99 999
  135 75.1 751
  136 0.69 7
  137 0.6 6
  139 1.7 17
  140 1.1 11
  144 0.06 1
  145 2.3 23
  149 5 50
  150 0.6 6
  157 0.23 2
  158 0.6 6
  163 0.6 6
  167 2.1 21
  168 0.08 1
  169 17.1 171
  170 1.5 15
  171 0.6 6
  187 0.08 1
  200 0.8 8
  211 1 10
  229 0.8 8
  280 0.06 1
  331 2.7 27
  332 0.6 6
  482 6.1 61
  483 1.5 15
//

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