ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002780
RECORD_TITLE: 4-ACETYLAMINOPHENYL-2-HYDROXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 4-ACETYLAMINOPHENYL-2-HYDROXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H13NO4
CH$EXACT_MASS: 271.08446
CH$SMILES: CC(=O)Nc(c2)ccc(c2)OC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)
CH$LINK: INCHIKEY TWIIVLKQFJBFPW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7045865
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05fr-4900000000-727cdbcb99b03d1f3f73
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  35 0.3 3
  36 1.3 13
  37 0.9 9
  38 0.19 2
  39 15.2 152
  40 2.9 29
  41 2 20
  42 0.14 1
  43 20.4 204
  44 2.3 23
  45 0.1 1
  49 0.01 0
  50 1.2 12
  51 1.9 19
  52 3.5 35
  53 0.64 6
  54 1.8 18
  55 1.3 13
  56 0.5 5
  57 0.06 1
  60 0.1 1
  61 0.4 4
  62 1.2 12
  63 0.49 5
  64 4.3 43
  65 29.6 296
  66 2.7 27
  67 0.08 1
  68 0.5 5
  69 0.6 6
  70 0.3 3
  71 0.04 0
  73 0.1 1
  74 0.5 5
  75 0.9 9
  76 0.07 1
  77 1.1 11
  78 1.2 12
  79 1.2 12
  80 0.88 9
  81 4.9 49
  82 1.6 16
  83 1 10
  84 0.01 0
  90 0.2 2
  91 0.9 9
  92 4.9 49
  93 2.13 21
  94 2 20
  95 0.3 3
  105 0.1 1
  106 0.02 0
  107 0.9 9
  108 7.1 71
  109 84 840
  110 0.74 7
  111 0.4 4
  119 0.1 1
  120 2.9 29
  121 99.99 999
  122 8.4 84
  123 1.1 11
  133 0.2 2
  134 0.31 3
  135 0.7 7
  136 0.1 1
  150 0.1 1
  151 5.99 60
  152 5.5 55
  153 0.6 6
  229 2.3 23
  230 0.05 1
  271 12.9 129
  272 2.3 23
  273 0.6 6
//
