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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011064

BENZOTRIAZOLE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011064
RECORD_TITLE: BENZOTRIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZOTRIAZOLE
CH$NAME: 1,2,3-BENZOTRIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5N3
CH$EXACT_MASS: 119.04835
CH$SMILES: C1=CC2=NNN=C2C=C1
CH$IUPAC: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
CH$LINK: CAS 95-14-7
CH$LINK: INCHIKEY QRUDEWIWKLJBPS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020147

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03xu-9200000000-14c60454b23abfdc1f33
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 3.1 31
  27 3.14 31
  28 3.23 32
  29 3.39 34
  37 9.29 93
  38 20.98 210
  39 14.82 148
  40 3.67 37
  41 8.28 83
  44 1.45 15
  46 1.25 13
  49 1.9 19
  50 4.65 47
  51 5.62 56
  52 21.71 217
  53 1.4 14
  60 1.18 12
  61 8.25 83
  62 12.59 126
  63 48 480
  64 62.29 623
  65 19.19 192
  75 1.04 10
  76 2.06 21
  87 1.38 14
  88 1.47 15
  90 5.09 51
  91 77.86 779
  92 5.81 58
  119 99.99 999
  120 11.21 112
//

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