ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005704
RECORD_TITLE: 3-NITROBENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3-NITROBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO3
CH$EXACT_MASS: 153.04259
CH$SMILES: OCc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2
CH$LINK: CAS 619-25-0
CH$LINK: INCHIKEY CWNPOQFCIIFQDM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060698
AC$INSTRUMENT: HITACHI M-80
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: splash10-0pdr-9600000000-5e187daf5562e5789795
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  27 5.48 55
  28 1.21 12
  29 5.34 53
  30 7.32 73
  31 7 70
  37 1.44 14
  38 3.25 33
  39 11.67 117
  40 1.33 13
  41 2.84 28
  46 3.11 31
  49 0.82 8
  50 14.82 148
  51 27.09 271
  52 6.94 69
  53 8.88 89
  55 2.24 22
  61 1.6 16
  62 4.42 44
  63 13.84 138
  64 3.52 35
  65 3.45 35
  66 2.1 21
  67 2.23 22
  73 0.98 10
  74 5.87 59
  75 5.3 53
  76 8.25 83
  77 99.99 999
  78 33.2 332
  79 15.81 158
  80 1.22 12
  81 0.67 7
  85 0.47 5
  86 0.97 10
  87 1 10
  88 0.57 6
  89 51.48 515
  90 8.29 83
  91 1.97 20
  92 1.46 15
  93 0.67 7
  94 3.33 33
  95 1.4 14
  104 1.37 14
  105 18.03 180
  106 31.51 315
  107 66.74 667
  108 19.81 198
  109 1.28 13
  110 0.75 8
  121 1.48 15
  122 0.49 5
  123 0.56 6
  124 6.24 62
  125 1.37 14
  135 0.71 7
  136 36.94 369
  137 7.31 73
  138 0.75 8
  150 1.14 11
  151 0.63 6
  152 6.37 64
  153 48.53 485
  154 7.16 72
  155 2.84 28
//
