ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011883
RECORD_TITLE: 4-METHOXYBENZYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHOXYBENZYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO
CH$EXACT_MASS: 137.08406
CH$SMILES: NCc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
CH$LINK: CAS 2393-23-9
CH$LINK: NIKKAJI J101.237A
CH$LINK: INCHIKEY IDPURXSQCKYKIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2062371

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-000i-4900000000-cf58462d070dccc8a608
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 3.22 32
  27 1.53 15
  28 10.18 102
  29 1.73 17
  30 14.9 149
  38 2.03 20
  39 6.42 64
  40 1.16 12
  41 3.32 33
  50 3.93 39
  51 6.41 64
  52 3.12 31
  53 1.46 15
  54 1.32 13
  62 1.46 15
  63 4.96 50
  64 3.3 33
  65 7.08 71
  66 5.72 57
  67 4.24 42
  74 1.25 13
  76 1.31 13
  77 14.95 150
  78 9.61 96
  79 5.93 59
  81 1.21 12
  89 3.72 37
  90 1.17 12
  91 6.76 68
  92 3.08 31
  93 8.65 87
  94 12.77 128
  95 2.38 24
  104 4.26 43
  105 5.68 57
  106 41.32 413
  107 4.9 49
  108 8.77 88
  109 18.8 188
  110 1.57 16
  119 5.25 53
  120 11.97 120
  121 40 400
  122 9.32 93
  123 1.11 11
  134 3.14 31
  135 1.62 16
  136 99.99 999
  137 82.86 829
  138 8.07 81
//