ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004250
RECORD_TITLE: 4-NITROPHENOXYACETIC ACID METHYL ESTER; 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$NAME: 4-NITROPHENOXYACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉NO₅
CH$EXACT_MASS: 211.04807
CH$SMILES: COC(=O)COc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C9H9NO5/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3
CH$LINK: INCHIKEY ZZVXTAUUUUCLAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00351448

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$SPLASH: splash10-0ik9-9860000000-712db30f0a4b09eec5b6
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  35 0.9 9
  37 1.2 12
  38 1.9 19
  39 0.21 2
  40 0.9 9
  42 3.6 36
  44 1.4 14
  45 11.9 119
  50 14.3 143
  51 0.38 4
  52 1.9 19
  53 0.9 9
  59 2.6 26
  62 0.17 2
  63 8.7 87
  64 11.9 119
  65 3.4 34
  66 0.21 2
  73 14.3 143
  75 17.2 172
  76 20.4 204
  77 0.63 6
  78 9.4 94
  79 3.8 38
  80 1.4 14
  91 0.12 1
  92 18.2 182
  93 2.1 21
  94 3.8 38
  105 0.19 2
  106 13.8 138
  107 5.1 51
  108 6.5 65
  109 0.17 2
  115 1.9 19
  122 25.5 255
  123 2.9 29
  136 0.41 4
  137 1.9 19
  152 83.2 832
  153 6.5 65
  181 0.97 10
  195 4.1 41
  211 99.99 999
  212 10.4 104
  213 1.2 12
//