ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010585
RECORD_TITLE: BETA-HYDROXY-4-METHYLBENZENEPROPANENITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: BETA-HYDROXY-4-METHYLBENZENEPROPANENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁NO
CH$EXACT_MASS: 161.08406
CH$SMILES: N#CCC(O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C10H11NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5,10,12H,6H2,1H3
CH$LINK: INCHIKEY HTMRHSQTWGSYKW-UHFFFAOYSA-N

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dl-9700000000-8359e13b66ca2714cae0
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  28 3.7 37
  38 1.64 16
  39 11.01 110
  40 4.93 49
  41 6.74 67
  50 3.2 32
  51 7.07 71
  53 1.65 17
  63 6.33 63
  64 1.56 16
  65 12.82 128
  66 1.15 12
  77 28.18 282
  78 4.52 45
  89 3.62 36
  90 1.64 16
  91 11.74 117
  92 3.7 37
  93 41 410
  94 3.04 30
  105 1.48 15
  115 1.31 13
  119 6.16 62
  120 3.11 31
  121 99.99 999
  122 7.31 73
  161 5.26 53
//