ACCESSION: MSBNK-Keio_Univ-KO003103
RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H029

CH$NAME: Harman
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀N₂
CH$EXACT_MASS: 182.08440
CH$SMILES: CC1=NC=CC2=C1NC3=CC=CC=C23
CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
CH$LINK: CAS 486-84-0
CH$LINK: KEGG C09209
CH$LINK: NIKKAJI J1.550D
CH$LINK: PUBCHEM SID:11400
CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80197568

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 183
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-0900000000-eeae7e4ae0e57f17ea4e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  62.800 138614.0 12
  73.000 148515.0 13
  83.200 64356.5 6
  91.000 158416.0 14
  105.000 4391093.5 380
  106.800 128713.0 11
  110.100 14851.5 1
  119.000 19802.0 2
  120.900 202970.5 18
  123.200 306931.0 27
  125.000 29703.0 3
  126.800 14851.5 1
  133.200 108911.0 9
  138.200 415842.0 36
  141.700 14851.5 1
  147.200 113861.5 10
  148.200 34653.5 3
  151.300 168317.0 15
  165.000 306931.0 27
  166.200 247525.0 21
  183.100 11534665.0 999
//