ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002931
RECORD_TITLE: HOMOVERATRILAMINE; 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$NAME: HOMOVERATRILAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅NO₂
CH$EXACT_MASS: 181.11028
CH$SMILES: NCCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
CH$LINK: INCHIKEY ANOUKFYBOAKOIR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059506

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$SPLASH: splash10-0ue9-7900000000-e258dc3dc0a069f89bd5
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 3.83 38
  28 5.02 50
  30 99.99 999
  39 8.09 81
  51 7.15 72
  52 2.5 25
  53 2.34 23
  63 2.81 28
  65 8.77 88
  66 2.25 23
  77 5.91 59
  78 7.04 70
  79 4.7 47
  89 2.3 23
  90 4.46 45
  91 6.6 66
  94 2.55 26
  105 3.92 39
  106 6.85 69
  107 9.41 94
  108 4.06 41
  109 5.36 54
  121 3.57 36
  122 2.04 20
  123 2.78 28
  135 2.48 25
  137 15.99 160
  151 42.01 420
  152 84.58 846
  153 8.81 88
  165 2.82 28
  181 15.47 155
  182 3.67 37
//