ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009966
RECORD_TITLE: METHYL 2-AMINO-3-(4-(N,N-BIS(2-CHLOROETHYL)AMINO)PHENYLPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-AMINO-3-(4-(N,N-BIS(2-CHLOROETHYL)AMINO)PHENYLPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀Cl₂N₂O₂
CH$EXACT_MASS: 318.09018
CH$SMILES: ClCCN(CCCl)c(c1)ccc(c1)CC(N)C(=O)OC
CH$IUPAC: InChI=1S/C14H20Cl2N2O2/c1-20-14(19)13(17)10-11-2-4-12(5-3-11)18(8-6-15)9-7-16/h2-5,13H,6-10,17H2,1H3
CH$LINK: INCHIKEY YHYUQHQOUXSXQE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70329578

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-001i-0290000000-feae1d5980dfc5c1a7f4
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  63 2.5 25
  90 3.1 31
  91 3.1 31
  105 0.44 4
  117 2 20
  118 20 200
  119 8.1 81
  132 0.41 4
  146 4.4 44
  149 4.7 47
  168 3 30
  181 0.8 8
  183 2 20
  194 2.2 22
  209 1.6 16
  212 0.38 4
  230 99.99 999
  231 12.5 125
  232 64.7 647
  233 0.91 9
  234 12.8 128
  259 7.2 72
  261 4.5 45
  269 0.13 1
  318 3 30
  320 2 20
//