MassBank Record: RP018503



 2-Hydroxyphenanzine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP018503
RECORD_TITLE: 2-Hydroxyphenanzine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
DATE: 2017.10.25
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 185

CH$NAME: 2-Hydroxyphenanzine CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C12H8N2O CH$EXACT_MASS: 196.06366 CH$SMILES: c1ccc2c(c1)nc3ccc(cc3n2)O CH$IUPAC: InChI=1S/C12H8N2O/c15-8-5-6-11-12(7-8)14-10-4-2-1-3-9(10)13-11/h1-7,15H CH$LINK: CAS 4190-95-8 CH$LINK: INCHIKEY RETSEGNZNUBJRB-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 10465369
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 3.683 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 197.0712 MS$FOCUSED_ION: PRECURSOR_M/Z 197.0709 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-014i-1900000000-462ea123dbd7d30ea4f0 PK$NUM_PEAK: 70 PK$PEAK: m/z int. rel.int. 55.0167 1272 4 69.0326 1174 3 75.0223 7158 24 78.0331 37382 125 79.0409 22460 75 80.0123 4806 16 80.0456 1296 4 81.0325 1154 3 86.0028 322 1 89.0382 5096 17 90.0335 3094 10 91.0536 9548 32 92.049 16916 56 93.033 4102 13 94.0276 338 1 95.0487 72130 242 96.044 9450 31 97.0526 316 1 101.0384 544 1 102.0336 8846 29 103.0414 1490 5 104.0493 1668 5 105.0445 24276 81 106.0481 1418 4 110.059 386 1 111.0441 3202 10 113.0383 318 1 114.0334 484 1 114.0459 2430 8 115.0542 78970 265 116.0496 14986 50 117.0571 6104 20 118.0649 3036 10 119.0607 3572 12 120.0444 4128 13 121.0396 1362 4 125.0388 2828 9 128.0491 4940 16 129.0446 10650 35 130.04 9390 31 132.0557 482 1 134.0612 956 3 140.0496 5928 19 141.0573 6768 22 142.0527 2368 7 142.065 9848 33 143.0608 5614 18 144.044 688 2 144.0629 786 2 145.0392 380 1 147.0552 386 1 151.0405 376 1 152.049 13078 43 153.0444 5928 19 154.0471 464 1 154.0649 422 1 155.0603 846 2 166.0527 956 3 167.06 9154 30 168.0676 297316 999 169.0753 267926 900 170.0597 3462 11 171.0545 1016 3 179.0599 29326 98 180.0635 2744 9 185.0697 400 1 195.055 892 2 196.0629 4030 13 197.0706 102454 344 199.0757 620 2 //