ACCESSION: MSBNK-EPA-ENTACT_AGILENT002474
RECORD_TITLE: 1,2,4-Butanetriol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,2,4-Butanetriol
CH$NAME: DTXSID8044416
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀O₃
CH$EXACT_MASS: 106.0629941859
CH$SMILES: OCC(O)CCO
CH$IUPAC: InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2
CH$LINK: CAS 3068-00-6
CH$LINK: INCHIKEY ARXKVVRQIIOZGF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:18302

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$FOCUSED_ION: PRECURSOR_M/Z 105.0557177342
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-05fr-9000000000-852dbc3e38bf4d700228
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  31.018938 3.310692 33
  41.039674 3.238278 32
  43.018938 8.187558 81
  44.998203 5.251297 52
  45.034588 3.96227 39
  57.034588 39.362703 393
  59.013853 43.016896 429
  59.050238 2.142168 21
  69.034588 14.930872 149
  71.013853 2.910495 29
  73.029503 100 999
  73.065888 2.38662 23
  85.029503 3.288518 32
  87.045153 7.334647 73
  105.055718 7.995148 79
//