ACCESSION: MSBNK-Keio_Univ-KO003104
RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-001i-0900000000-b99788a07a287e8b9126
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  63.000 158416.0 23
  72.700 118812.0 17
  76.900 34653.5 5
  77.300 29703.0 4
  80.900 49505.0 7
  82.900 69307.0 10
  89.300 29703.0 4
  91.100 64356.5 9
  94.800 54455.5 8
  104.900 945545.5 135
  110.300 232673.5 33
  115.300 24752.5 4
  120.700 39604.0 6
  121.000 118812.0 17
  123.200 69307.0 10
  137.300 24752.5 4
  138.100 128713.0 18
  147.300 49505.0 7
  165.400 19802.0 3
  166.000 64356.5 9
  183.100 6980205.0 999
//