ACCESSION: MSBNK-EPA-ENTACT_AGILENT000574
RECORD_TITLE: beta-D-Lactose; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0ab9-9000000000-697ab1bc6f25cc3ab5c4
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41.003288 4.837012 48
  43.018938 24.910622 248
  44.998203 6.036876 60
  53.039674 3.416489 34
  55.018938 10.402588 103
  56.998203 1.142454 11
  57.034588 6.426685 64
  58.006028 3.194011 31
  58.042413 1.331201 13
  59.013853 100.000002 999
  69.034588 2.449183 24
  71.013853 40.922772 408
  72.021678 1.783293 17
  73.029503 55.054134 549
  79.018938 2.717535 27
  81.034588 2.640221 26
  83.013853 6.565581 65
  85.008374 1.96347 19
  85.029503 5.666258 56
  87.008768 3.949853 39
  87.045153 1.30516 13
  89.024418 9.434621 94
  95.013853 3.442909 34
  97.029503 9.66481 96
  101.024418 2.630426 26
  113.024418 6.86112 68
  131.034982 1.577691 15
//