ACCESSION: MSBNK-EPA-ENTACT_AGILENT000576
RECORD_TITLE: beta-D-Lactose; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: beta-D-Lactose
CH$NAME: DTXSID5058723
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₁₁
CH$EXACT_MASS: 342.1162115471
CH$SMILES: O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
CH$IUPAC: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
CH$LINK: CAS 5965-66-2
CH$LINK: INCHIKEY GUBGYTABKSRVRQ-DCSYEGIMSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 341.1089350954
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-5900000000-ec408eeb6c3756a96da1
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  43.018938 1.118327 11
  44.998203 11.170714 111
  59.013853 12.850221 128
  71.013853 21.014675 209
  73.029503 28.09456 280
  77.024418 1.078547 10
  81.034588 3.22769 32
  83.013853 6.442023 64
  85.029503 2.15049 21
  87.008768 1.714391 17
  87.045153 1.538843 15
  89.024418 26.116846 260
  97.029503 25.781114 257
  99.045153 1.411856 14
  101.024418 54.995784 549
  101.060803 1.169739 11
  113.024418 11.351564 113
  115.040068 10.140066 101
  115.055324 1.296525 12
  119.034982 9.788811 97
  125.024418 7.679531 76
  131.034982 3.362731 33
  143.013853 2.133142 21
  143.034982 22.725079 227
  149.045547 1.816835 18
  161.045547 99.999998 999
  161.097189 1.330446 13
  179.056112 15.220946 152
  221.066676 1.622229 16
  341.108935 1.647436 16
//