ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011475
RECORD_TITLE: 4-NITROBENZYLALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 4-NITROBENZYLALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₃
CH$EXACT_MASS: 153.04259
CH$SMILES: OCc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
CH$LINK: INCHIKEY JKTYGPATCNUWKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1052298

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0fb9-9300000000-4a9fa5a740fc524f1fc3
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  37 1.54 15
  38 5.87 59
  39 28.47 285
  40 3.62 36
  41 9.74 97
  42 0.85 9
  43 0.9 9
  46 13.37 134
  50 29.18 292
  51 57.59 576
  52 16.61 166
  53 16.01 160
  55 4.87 49
  61 1.68 17
  62 7.69 77
  63 23.76 238
  64 6.31 63
  65 7.4 74
  66 7.34 73
  67 7.73 77
  68 1.16 12
  73 1.02 10
  74 10.19 102
  75 9.37 94
  76 12.85 129
  77 99.99 999
  78 51.88 519
  79 42.83 428
  80 3.14 31
  86 1.2 12
  87 1.32 13
  89 48.51 485
  90 6.84 68
  91 2.37 24
  92 2.92 29
  94 8.15 82
  95 3.04 30
  104 2.12 21
  105 15.14 151
  106 21.46 215
  107 82.61 826
  108 19.99 200
  109 1.31 13
  122 1.26 13
  123 0.97 10
  124 6.45 65
  125 1.27 13
  136 13.51 135
  137 4.1 41
  150 2.34 23
  151 2.25 23
  152 4.81 48
  153 48.42 484
  154 4.37 44
  155 1.18 12
//