ACCESSION: MSBNK-EPA-ENTACT_AGILENT001452
RECORD_TITLE: Lactose; ESI-QTOF; MS2; CE: 10; [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 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$SPLASH: splash10-0ik9-4900000000-173d8091234f5d307fc9
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  44.998203 7.712164 77
  59.013853 16.676126 166
  71.013853 12.997543 129
  73.029503 30.420092 303
  81.034588 3.571705 35
  83.013853 5.921497 59
  87.008768 2.881207 28
  89.024418 30.267593 302
  97.029503 31.743114 317
  99.045153 1.93025 19
  101.024418 84.208172 841
  101.060803 1.487706 14
  113.003288 1.193858 11
  113.024418 8.053122 80
  115.040068 8.661995 86
  119.034982 5.152952 51
  125.024418 5.827753 58
  131.034982 2.707897 27
  143.034982 22.337274 223
  149.045547 1.519886 15
  161.045547 100 999
  161.097189 1.671555 16
  179.056112 17.015142 169
  221.066676 1.139325 11
//