MassBank Record: MSBNK-EPA-ENTACT_AGILENT001381
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001381
RECORD_TITLE: Decyl beta-D-glucopyranoside; ESI-QTOF; MS2; CE: 40; [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 40
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: splash10-0a4i-9000000000-7ca07a6b4b6b796497ba
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
31.018938 1.052122 10
41.003288 3.811133 38
43.018938 31.575101 315
44.998203 14.597763 145
51.024024 2.176881 21
55.018938 42.842065 427
56.998203 2.408257 24
57.034588 8.562037 85
59.013853 99.999998 999
69.034588 1.721213 17
71.013853 23.403503 233
73.029503 6.182325 61
83.013853 8.067815 80
85.029503 9.195215 91
86.000943 4.752769 47
87.008768 1.691544 16
95.013853 2.473961 24
99.008768 1.590172 15
101.024418 2.687338 26
155.144139 1.41863 14
//
system version 2.2.6-SNAPSHOT