MassBank Record: MSBNK-Keio_Univ-KO001031
ACCESSION: MSBNK-Keio_Univ-KO001031
RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:40 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 181
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-053r-4900000000-a0c45efe16d695cf0465
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
42.000 49505.0 196
59.000 198020.0 784
98.900 9901.0 39
140.000 29703.0 118
165.300 178218.0 705
180.300 118812.0 470
181.300 252475.5 999
//