ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003476
RECORD_TITLE: BUTYL 4-NITROBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL 4-NITROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃NO₄
CH$EXACT_MASS: 223.08446
CH$SMILES: CCCCOC(=O)c(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C11H13NO4/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)12(14)15/h4-7H,2-3,8H2,1H3
CH$LINK: INCHIKEY DVTGVOHTTDVRJF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90152643

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9500000000-78fb77d6e1e3c6bdd65f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41 10.74 107
  55 13.91 139
  56 99.99 999
  57 5.38 54
  58 0.2 2
  65 1.64 16
  73 0.79 8
  76 0.4 4
  78 0.33 3
  92 2.58 26
  93 0.44 4
  103 1.03 10
  104 5.47 55
  105 0.35 4
  120 5.28 53
  121 1.95 20
  122 0.73 7
  134 1.07 11
  135 0.24 2
  137 3.59 36
  138 0.35 4
  150 34.88 349
  151 7.7 77
  152 1.67 17
  153 0.35 4
  168 19.7 197
  169 4.51 45
  170 0.49 5
  193 0.96 10
//