ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003536
RECORD_TITLE: SALICYLAMIDE; 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$NAME: SALICYLAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₂
CH$EXACT_MASS: 137.04768
CH$SMILES: NC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
CH$LINK: INCHIKEY SKZKKFZAGNVIMN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021726

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-00du-8900000000-701c75263149bd35390b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  37 3.4 34
  38 7.5 75
  39 25.2 252
  40 2.4 24
  44 9.7 97
  46 1.4 14
  50 4 40
  51 0.28 3
  52 2.4 24
  53 6.9 69
  54.5 7.6 76
  55 0.16 2
  61 2.1 21
  62 4.4 44
  63 13.4 134
  64 1.71 17
  65 23.1 231
  66 2.4 24
  76 1.9 19
  80 0.25 3
  91 4.6 46
  92 58.3 583
  93 12.5 125
  94 0.15 2
  119 2.3 23
  120 99.99 999
  121 18.3 183
  122 0.16 2
  137 75 750
  138 7.1 71
//