MassBank Record: MSBNK-EPA-ENTACT_AGILENT001380
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001380
RECORD_TITLE: Decyl beta-D-glucopyranoside; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: Decyl beta-D-glucopyranoside
CH$NAME: DTXSID2041208
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H32O6
CH$EXACT_MASS: 320.2198887546
CH$SMILES: CCCCCCCCCCOC1OC(CO)C(O)C(O)C1O
CH$IUPAC: InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3
CH$LINK: CAS
58846-77-8
CH$LINK: INCHIKEY
JDRSMPFHFNXQRB-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:62142
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 319.2126123029
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-11vi-9703000000-96841be8b0a9798045dd
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
43.018938 22.906082 228
44.998203 10.239375 102
55.018938 3.408942 34
57.034588 4.350731 43
59.013853 38.347296 383
71.013853 53.883231 538
73.029503 30.96391 309
83.013853 9.347792 93
85.029503 24.972023 249
87.008768 3.319988 33
89.024418 9.263802 92
95.013853 1.289645 12
97.029503 1.976386 19
99.008768 10.02982 100
101.003288 1.562224 15
101.024418 100.000002 999
101.060803 1.481491 14
113.024418 44.652591 446
119.034982 1.100867 10
125.024418 1.332765 13
129.019332 3.436737 34
143.034982 4.026999 40
159.029897 12.029883 120
161.045547 26.85386 268
319.212612 75.043319 749
//
system version 2.2.6-SNAPSHOT