ACCESSION: MSBNK-EPA-ENTACT_AGILENT001526
RECORD_TITLE: 5-Phenyl-1H-tetrazole; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-Phenyl-1H-tetrazole
CH$NAME: DTXSID6044858
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆N₄
CH$EXACT_MASS: 146.059246221
CH$SMILES: C1=CC=CC=C1C1NN=NN=1
CH$IUPAC: InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
CH$LINK: CAS 18039-42-4
CH$LINK: INCHIKEY MARUHZGHZWCEQU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:87425

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$FOCUSED_ION: PRECURSOR_M/Z 145.0519697693
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-594128bc422095f5afc9
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  39.024024 4.711157 47
  41.014522 2.107562 21
  42.009771 100.000003 999
  42.034923 1.410977 14
  49.008374 9.456744 94
  62.016199 1.258444 12
  63.024024 1.268258 12
  88.031849 6.351921 63
  89.039674 7.998499 79
  117.045822 1.786074 17
//