ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010983
RECORD_TITLE: 2-(4-NITROBENZYLOXY)TROPONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(4-NITROBENZYLOXY)TROPONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₁NO₄
CH$EXACT_MASS: 257.06881
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(COC(=C2)C(=O)C=CC=C2)c1
CH$IUPAC: InChI=1S/C14H11NO4/c16-13-4-2-1-3-5-14(13)19-10-11-6-8-12(9-7-11)15(17)18/h1-9H,10H2
CH$LINK: INCHIKEY YQDITWJHEDBVFV-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4r-9400000000-1912ee52cff1e147c414
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  38 7.12 71
  39 60.93 609
  40 4.34 43
  50 7.78 78
  51 20.08 201
  52 7.24 72
  62 5.68 57
  63 22.61 226
  64 12.39 124
  65 58.8 588
  66 5.4 54
  76 2.85 29
  77 19.24 192
  78 74.04 740
  79 5.9 59
  89 31 310
  90 27.91 279
  91 4.73 47
  93 5.69 57
  94 5.02 50
  105 40.92 409
  106 99.99 999
  107 9.39 94
  136 24.23 242
  257 25.46 255
  258 4.67 47
//