ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010333
RECORD_TITLE: PARA-AMINOBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-AMINOBENZOIC ACID
CH$NAME: 4-AMINOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₂
CH$EXACT_MASS: 137.04768
CH$SMILES: Nc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024466

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0079-9600000000-075c262f1e5d23ef097d
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  26 2.61 26
  27 4.58 46
  28 8.27 83
  29 4.22 42
  37 5.91 59
  38 12.16 122
  39 25.46 255
  40 4.44 44
  41 10.08 101
  42 2.78 28
  44 1.41 14
  45 12.7 127
  46 3.97 40
  49 1.21 12
  50 6.07 61
  51 5.16 52
  52 10.45 105
  53 5.74 57
  54 6.47 65
  55 1.4 14
  60 2.89 29
  61 4.43 44
  62 7.92 79
  63 15.95 160
  64 8.83 88
  65 46.84 468
  66 8.15 82
  74 2.38 24
  75 1.47 15
  80 3.32 33
  81 2.36 24
  90 2.45 25
  91 5.13 51
  92 40.97 410
  93 3.55 36
  108 2.55 26
  109 1.79 18
  120 99.37 994
  121 8.06 81
  137 99.99 999
  138 8.99 90
//