ACCESSION: MSBNK-EPA-ENTACT_AGILENT001124
RECORD_TITLE: HC Blue 2; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: HC Blue 2
CH$NAME: DTXSID6020193
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉N₃O₅
CH$EXACT_MASS: 285.1324707398
CH$SMILES: [O-][N+](=O)C1C=C(C=CC=1NCCO)N(CCO)CCO
CH$IUPAC: InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2
CH$LINK: CAS 33229-34-4
CH$LINK: INCHIKEY MIWUTEVJIISHCP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:36383

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 286.1397471915
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0090000000-46ca72b884d1ef74a69b
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  190.097488 8.511986 85
  210.087318 1.185392 11
  214.984924 1.511714 15
  221.115878 4.874573 48
  238.118618 1.899942 18
  241.105707 12.920301 129
  242.113532 1.429147 14
  254.113532 14.400979 143
  255.121357 1.827315 18
  268.129183 4.326825 43
  269.137008 1.313464 13
  285.131922 8.133162 81
  286.139747 99.999998 999
//