ACCESSION: MSBNK-EPA-ENTACT_AGILENT001453
RECORD_TITLE: Lactose; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Lactose
CH$NAME: DTXSID2023193
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₁₁
CH$EXACT_MASS: 342.1162115471
CH$SMILES: O[C@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O
CH$IUPAC: InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
CH$LINK: CAS 63-42-3
CH$LINK: INCHIKEY DKXNBNKWCZZMJT-JVCRWLNRSA-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$SPLASH: splash10-0ab9-9000000000-3d34a08a6170a53531b7
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41.003288 7.651664 76
  43.018938 23.324999 233
  44.998203 13.018271 130
  51.024024 1.202116 12
  53.039674 2.404716 24
  55.018938 7.311675 73
  57.034588 6.533427 65
  59.013853 99.999999 999
  59.050238 1.113717 11
  69.034588 8.490205 84
  71.013853 40.647029 406
  73.029503 55.837177 557
  73.065888 1.346418 13
  79.018938 5.886276 58
  83.013853 10.044593 100
  85.029503 6.454425 64
  87.008768 5.840169 58
  89.024418 3.400548 33
  95.013853 3.235015 32
  97.029503 15.86186 158
  101.024418 6.043708 60
  113.024418 2.394576 23
//