MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000975

NITROBENZENE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000975
RECORD_TITLE: NITROBENZENE; 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$NAME: NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₂
CH$EXACT_MASS: 123.03203
CH$SMILES: [O-1][N+1](=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
CH$LINK: CAS 98-95-3
CH$LINK: INCHIKEY LQNUZADURLCDLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020964

---

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0fb9-9000000000-cb5343370bc7b8d5540d
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  50 16.1 161
  51 43.8 438
  52 2.5 25
  63 0.21 2
  65 14 140
  74 7.9 79
  75 4.6 46
  76 0.37 4
  77 99.99 999
  78 6.7 67
  93 14.8 148
  123 7.56 76
  124 5.4 54
//