ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004521
RECORD_TITLE: URETHAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: URETHAN
CH$NAME: ETHYL CARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₇NO₂
CH$EXACT_MASS: 89.04768
CH$SMILES: CCOC(N)=O
CH$IUPAC: InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
CH$LINK: CAS 51-79-6
CH$LINK: INCHIKEY JOYRKODLDBILNP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021427

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-01r7-9000000000-ba57e1f4b939a6bb2c1c
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  13 0.04 0
  14 0.42 4
  15 2.28 23
  16 3.16 32
  17 5.9 59
  18 24.07 241
  19 3.14 31
  25 0.23 2
  26 6.26 63
  27 37.35 374
  28 19.57 196
  29 41.91 419
  30 6.55 66
  31 46.33 463
  32 2.16 22
  33 0.16 2
  40 0.13 1
  41 0.3 3
  42 2 20
  43 11.76 118
  44 99.99 999
  45 65.45 655
  46 9.29 93
  47 0.33 3
  48 0.03 0
  55 0.05 1
  57 0.03 0
  59 0.13 1
  60 0.12 1
  61 7.12 71
  62 57.05 571
  63 0.88 9
  64 0.23 2
  71 0.65 7
  72 0.06 1
  74 8.32 83
  75 0.21 2
  76 0.04 0
  88 0.09 1
  89 1.74 17
  90 0.75 8
  91 0.04 0
//