ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001410
RECORD_TITLE: NOREPINEPHIRINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: NOREPINEPHIRINE
CH$NAME: 4-(2-AMINO-1-HYDROXYETHYL)-1,2-BENZENEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO₃
CH$EXACT_MASS: 169.07389
CH$SMILES: NCC([H])(O)c(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID5023378

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000l-4900000000-b0893c23c186c5f8a344
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  30 34.6 346
  31 2.7 27
  65 9.9 99
  83 0.11 1
  93 39.7 397
  94 3.7 37
  95 1.3 13
  111 2.32 23
  112 1.7 17
  122 3.1 31
  123 3.3 33
  124 0.15 2
  129 1 10
  134 1.5 15
  137 4.4 44
  138 1.29 13
  139 99.99 999
  140 27.9 279
  141 2.5 25
  151 0.66 7
  152 3.5 35
  169 12.4 124
  170 2.1 21
//