ACCESSION: MSBNK-EPA-ENTACT_AGILENT001454
RECORD_TITLE: Lactose; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0fk9-9300000000-aa349354bbf7af0a0cba
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41.003288 1.009513 10
  43.018938 12.970308 129
  44.998203 22.549816 225
  53.039674 2.944499 29
  57.034588 1.22249 12
  59.013853 67.64634 675
  69.034588 2.753109 27
  71.013853 58.536676 584
  71.050238 1.68322 16
  73.029503 100.000001 999
  73.065888 1.844931 18
  79.018938 1.326068 13
  81.034588 11.102446 110
  83.013853 15.283429 152
  85.029503 4.080846 40
  87.008768 8.777984 87
  89.024418 47.803267 477
  95.013853 1.224925 12
  97.029503 52.836545 527
  99.045153 1.883206 18
  101.024418 85.481042 853
  101.060803 1.480533 14
  113.024418 21.125405 211
  115.040068 8.335614 83
  119.034982 6.403502 63
  125.024418 7.450667 74
  131.034982 2.069502 20
  143.034982 5.495216 54
  161.045547 14.621682 146
  179.056112 1.520618 15
//