ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003291
RECORD_TITLE: N,N-DIBUTYLNITROSOAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N,N-DIBUTYLNITROSOAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈N₂O
CH$EXACT_MASS: 158.14191
CH$SMILES: CCCCN(N=O)CCCC
CH$IUPAC: InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY YGJHZCLPZAZIHH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021026

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0a59-9000000000-8b188506108871f09d92
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  53 2.23 22
  56 23.42 234
  57 99.99 999
  58 5.81 58
  70 6.96 70
  72 4.15 42
  74 6.6 66
  83 2.59 26
  84 62.05 621
  85 5.63 56
  86 5.3 53
  99 7.83 78
  115 4.22 42
  116 6.13 61
//